diff --git a/.gitignore b/.gitignore index 55fa2bd..420618c 100644 --- a/.gitignore +++ b/.gitignore @@ -3,6 +3,3 @@ vlaplex *.csv *.mod *.o -*.tar.gz -obj/ -mod/ diff --git a/AUTHORS b/AUTHORS deleted file mode 100644 index 62d97f8..0000000 --- a/AUTHORS +++ /dev/null @@ -1,4 +0,0 @@ -# This is the list of VlaPlEx's contributors. - -Jorge Gonzalez -Jop Hendrikx diff --git a/COPYING b/COPYING deleted file mode 100644 index f288702..0000000 --- a/COPYING +++ /dev/null @@ -1,674 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 3, 29 June 2007 - - Copyright (C) 2007 Free Software Foundation, Inc. - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The GNU General Public License is a free, copyleft license for -software and other kinds of works. - - The licenses for most software and other practical works are designed -to take away your freedom to share and change the works. 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If not, see . - -Also add information on how to contact you by electronic and paper mail. - - If the program does terminal interaction, make it output a short -notice like this when it starts in an interactive mode: - - Copyright (C) - This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, your program's commands -might be different; for a GUI interface, you would use an "about box". - - You should also get your employer (if you work as a programmer) or school, -if any, to sign a "copyright disclaimer" for the program, if necessary. -For more information on this, and how to apply and follow the GNU GPL, see -. - - The GNU General Public License does not permit incorporating your program -into proprietary programs. If your program is a subroutine library, you -may consider it more useful to permit linking proprietary applications with -the library. If this is what you want to do, use the GNU Lesser General -Public License instead of this License. But first, please read -. diff --git a/README.md b/README.md index e30de96..f7cbda4 100644 --- a/README.md +++ b/README.md @@ -5,15 +5,3 @@ It solves the Vlasov equation for ions in a 1D spherical domain. Electrons are treated as a fluid either isothermal (Boltzmann) or polytropic. Self-consistent electric field is solved using a Newton-Raphson method to solve the Poisson equation. - -A 2D table linking T_e, n_e and the average Z must be provided. Examples can be found in 'data/TNZ'. - -Input files for different cases are in the 'input' folder. - -Files with the boundary conditions are provided in 'data/boundary'. - -Input files must specify which TNZ table and boundary file are using. - -To run the code execute - -./vlaplex diff --git a/bc_80ns_T10Z6.csv b/bc_80ns_T10Z6.csv new file mode 100644 index 0000000..04bccba --- /dev/null +++ b/bc_80ns_T10Z6.csv @@ -0,0 +1,5 @@ +t (s),n (m^-3),u (m s^-1),T (eV),Z +0.000000E-000,1.111111E+025,0.000000E+000,1.000000E+001,6.000000E+000 +8.000000E-008,1.111111E+025,0.000000E+000,1.000000E+001,6.000000E+000 +8.500000E-008,1.000000E+020,0.000000E+000,5.000000E+000,6.000000E+000 +2.000000E-006,1.000000E+020,0.000000E+000,5.000000E+000,6.000000E+000 diff --git a/bc_80ns_T30Z11.csv b/bc_80ns_T30Z11.csv new file mode 100644 index 0000000..a23d865 --- /dev/null +++ b/bc_80ns_T30Z11.csv @@ -0,0 +1,5 @@ +t (s),n (m^-3),u (m s^-1),T (eV),Z +0.000000E-000,1.111111E+025,0.000000E+000,3.000000E+001,1.100000E+001 +8.000000E-008,1.111111E+025,0.000000E+000,3.000000E+001,1.100000E+001 +8.500000E-008,1.000000E+020,0.000000E+000,5.000000E+000,1.100000E+001 +2.000000E-006,1.000000E+020,0.000000E+000,5.000000E+000,1.100000E+001 diff --git a/bc_80ns_T60Z16.csv b/bc_80ns_T60Z16.csv new file mode 100644 index 0000000..63c934d --- /dev/null +++ b/bc_80ns_T60Z16.csv @@ -0,0 +1,5 @@ +t (s),n (m^-3),u (m s^-1),T (eV),Z +0.000000E-000,1.111111E+025,0.000000E+000,6.000000E+001,1.600000E+001 +8.000000E-008,1.111111E+025,0.000000E+000,6.000000E+001,1.600000E+001 +8.500000E-008,1.000000E+020,0.000000E+000,5.000000E+000,1.600000E+001 +2.000000E-006,1.000000E+020,0.000000E+000,5.000000E+000,1.600000E+001 diff --git a/bc_80ns_T6Z4.csv b/bc_80ns_T6Z4.csv new file mode 100644 index 0000000..f0bdb43 --- /dev/null +++ b/bc_80ns_T6Z4.csv @@ -0,0 +1,5 @@ +t (s),n (m^-3),u (m s^-1),T (eV),Z +0.000000E-000,1.111111E+025,0.000000E+000,6.000000E+000,4.000000E+000 +8.000000E-008,1.111111E+025,0.000000E+000,6.000000E+000,4.000000E+000 +8.500000E-008,1.000000E+020,0.000000E+000,5.000000E+000,4.000000E+000 +2.000000E-006,1.000000E+020,0.000000E+000,5.000000E+000,4.000000E+000 diff --git a/bc_fa_T30Z11.csv b/bc_fa_T30Z11.csv new file mode 100644 index 0000000..2c0c946 --- /dev/null +++ b/bc_fa_T30Z11.csv @@ -0,0 +1,3 @@ +t (s),n (m^-3),u (m s^-1),T (eV),Z +0.000000E-000,1.111111E+025,0.000000E+000,3.000000E+001,1.100000E+001 +1.000000E-006,1.111111E+025,0.000000E+000,3.000000E+001,1.100000E+001 diff --git a/data/boundary/bc_80ns_T10.csv b/data/boundary/bc_80ns_T10.csv deleted file mode 100644 index a77c2bf..0000000 --- a/data/boundary/bc_80ns_T10.csv +++ /dev/null @@ -1,6 +0,0 @@ -t (s),n (m^-3),u (m s^-1),T (eV) -0.000000E-000,1.000000E+024,0.000000E+000,1.000000E+001 -8.000000E-008,1.000000E+024,0.000000E+000,1.000000E+001 -8.500000E-008,1.000000E+020,0.000000E+000,5.000000E-001 -1.000000E-007,1.000000E+010,0.000000E+000,5.000000E-001 -2.000000E-006,1.000000E+010,0.000000E+000,5.000000E-001 diff --git a/data/boundary/bc_80ns_T30.csv b/data/boundary/bc_80ns_T30.csv deleted file mode 100644 index 554c029..0000000 --- a/data/boundary/bc_80ns_T30.csv +++ /dev/null @@ -1,6 +0,0 @@ -t (s),n (m^-3),u (m s^-1),T (eV) -0.000000E-000,1.000000E+024,0.000000E+000,3.000000E+001 -8.000000E-008,1.000000E+024,0.000000E+000,3.000000E+001 -8.500000E-008,1.000000E+020,0.000000E+000,5.000000E-001 -1.000000E-007,1.000000E+010,0.000000E+000,5.000000E-001 -2.000000E-006,1.000000E+010,0.000000E+000,5.000000E-001 diff --git a/data/boundary/bc_80ns_T6.csv b/data/boundary/bc_80ns_T6.csv deleted file mode 100644 index 0598227..0000000 --- a/data/boundary/bc_80ns_T6.csv +++ /dev/null @@ -1,6 +0,0 @@ -t (s),n (m^-3),u (m s^-1),T (eV) -0.000000E-000,1.000000E+024,0.000000E+000,6.000000E+000 -8.000000E-008,1.000000E+024,0.000000E+000,6.000000E+000 -8.500000E-008,1.000000E+020,0.000000E+000,5.000000E-001 -1.000000E-007,1.000000E+010,0.000000E+000,5.000000E-001 -2.000000E-006,1.000000E+010,0.000000E+000,5.000000E-001 diff --git a/data/boundary/bc_80ns_T60.csv b/data/boundary/bc_80ns_T60.csv deleted file mode 100644 index a5603d1..0000000 --- a/data/boundary/bc_80ns_T60.csv +++ /dev/null @@ -1,6 +0,0 @@ -t (s),n (m^-3),u (m s^-1),T (eV) -0.000000E-000,1.000000E+024,0.000000E+000,6.000000E+001 -8.000000E-008,1.000000E+024,0.000000E+000,6.000000E+001 -8.500000E-008,1.000000E+020,0.000000E+000,5.000000E-001 -1.000000E-007,1.000000E+010,0.000000E+000,5.000000E-001 -2.000000E-006,1.000000E+010,0.000000E+000,5.000000E-001 diff --git a/data/boundary/bc_fa_T30.csv b/data/boundary/bc_fa_T30.csv deleted file mode 100644 index 2e7a922..0000000 --- a/data/boundary/bc_fa_T30.csv +++ /dev/null @@ -1,3 +0,0 @@ -t (s),n (m^-3),u (m s^-1),T (eV) -0.000000E-000,1.000000E+024,0.000000E+000,3.000000E+001 -2.000000E-006,1.000000E+024,0.000000E+000,3.000000E+001 diff --git a/input/input_80ns_T10.nml b/input/input_80ns_T10.nml deleted file mode 100644 index 7a28a4b..0000000 --- a/input/input_80ns_T10.nml +++ /dev/null @@ -1,43 +0,0 @@ -&reference - m_ref = 1.9712258e-25 ! Ion mass [kg] - Temp_ref = 30.0 ! Plasma temperature [eV] - n_ref = 1.0e24 ! Plasma density [m^-3] -/ - -&grid - r0 = 10.0e-6 ! Initial position [m] - rf = 2.0e-3 ! Final position [m] - dr = 1.0e-6 ! Spatial step [m] - v0 = -50e3 ! Lower limit for velocity space [m s^-1] - vf = 250e3 ! Upper limit for velocity space [m s^-1] - nv = 401 ! Number of grid points in the velocity space -/ - -&output - folder = 'polytropic_80ns_T10' ! Folder name - outputStep = 1e-9 ! Time step for file write [s] -/ - -&time - t0 = 0.0 ! Initial time [s] - tf = 2.0e-7 ! Final time [s] - cfl = 0.2 ! CFL condition (dt = CFL * dr / vf) -/ - -&detector - rCum = 1.0e-3 ! Position of the detector [m] -/ - -&boundary - filename = 'data/boundary/bc_80ns_T10.csv' ! File for boundary value -/ - -&Zbins - filename = 'data/TNZ/Sn.csv' ! File with table to get Z from Te and ne - ZList = 0.1, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0 ! Bins of average Z -/ - -¶llel - nThreads = 16 ! Number of threads for OpenMP -/ - diff --git a/input/input_80ns_T30.nml b/input/input_80ns_T30.nml deleted file mode 100644 index 50024e0..0000000 --- a/input/input_80ns_T30.nml +++ /dev/null @@ -1,43 +0,0 @@ -&reference - m_ref = 1.9712258e-25 ! Ion mass [kg] - Temp_ref = 30.0 ! Plasma temperature [eV] - n_ref = 1.0e24 ! Plasma density [m^-3] -/ - -&grid - r0 = 10.0e-6 ! Initial position [m] - rf = 2.0e-3 ! Final position [m] - dr = 1.0e-6 ! Spatial step [m] - v0 = -50e3 ! Lower limit for velocity space [m s^-1] - vf = 250e3 ! Upper limit for velocity space [m s^-1] - nv = 401 ! Number of grid points in the velocity space -/ - -&output - folder = 'polytropic_80ns_T30' ! Folder name - outputStep = 1e-9 ! Time step for file write [s] -/ - -&time - t0 = 0.0 ! Initial time [s] - tf = 2.0e-7 ! Final time [s] - cfl = 0.2 ! CFL condition (dt = CFL * dr / vf) -/ - -&detector - rCum = 1.0e-3 ! Position of the detector [m] -/ - -&boundary - filename = 'data/boundary/bc_80ns_T30.csv' ! File for boundary value -/ - -&Zbins - filename = 'data/TNZ/Sn.csv' ! File with table to get Z from Te and ne - ZList = 0.1, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0 ! Bins of average Z -/ - -¶llel - nThreads = 16 ! Number of threads for OpenMP -/ - diff --git a/input/input_80ns_T6.nml b/input/input_80ns_T6.nml deleted file mode 100644 index 6a5a0c8..0000000 --- a/input/input_80ns_T6.nml +++ /dev/null @@ -1,43 +0,0 @@ -&reference - m_ref = 1.9712258e-25 ! Ion mass [kg] - Temp_ref = 30.0 ! Plasma temperature [eV] - n_ref = 1.0e24 ! Plasma density [m^-3] -/ - -&grid - r0 = 10.0e-6 ! Initial position [m] - rf = 2.0e-3 ! Final position [m] - dr = 1.0e-6 ! Spatial step [m] - v0 = -50e3 ! Lower limit for velocity space [m s^-1] - vf = 250e3 ! Upper limit for velocity space [m s^-1] - nv = 401 ! Number of grid points in the velocity space -/ - -&output - folder = 'polytropic_80ns_T6' ! Folder name - outputStep = 1e-9 ! Time step for file write [s] -/ - -&time - t0 = 0.0 ! Initial time [s] - tf = 2.0e-7 ! Final time [s] - cfl = 0.2 ! CFL condition (dt = CFL * dr / vf) -/ - -&detector - rCum = 1.0e-3 ! Position of the detector [m] -/ - -&boundary - filename = 'data/boundary/bc_80ns_T6.csv' ! File for boundary value -/ - -&Zbins - filename = 'data/TNZ/Sn.csv' ! File with table to get Z from Te and ne - ZList = 0.1, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0 ! Bins of average Z -/ - -¶llel - nThreads = 16 ! Number of threads for OpenMP -/ - diff --git a/input/input_80ns_T60.nml b/input/input_80ns_T60.nml deleted file mode 100644 index 5528da7..0000000 --- a/input/input_80ns_T60.nml +++ /dev/null @@ -1,43 +0,0 @@ -&reference - m_ref = 1.9712258e-25 ! Ion mass [kg] - Temp_ref = 30.0 ! Plasma temperature [eV] - n_ref = 1.0e24 ! Plasma density [m^-3] -/ - -&grid - r0 = 10.0e-6 ! Initial position [m] - rf = 2.0e-3 ! Final position [m] - dr = 1.0e-6 ! Spatial step [m] - v0 = -50e3 ! Lower limit for velocity space [m s^-1] - vf = 250e3 ! Upper limit for velocity space [m s^-1] - nv = 401 ! Number of grid points in the velocity space -/ - -&output - folder = 'polytropic_80ns_T60' ! Folder name - outputStep = 1e-9 ! Time step for file write [s] -/ - -&time - t0 = 0.0 ! Initial time [s] - tf = 2.0e-7 ! Final time [s] - cfl = 0.2 ! CFL condition (dt = CFL * dr / vf) -/ - -&detector - rCum = 1.0e-3 ! Position of the detector [m] -/ - -&boundary - filename = 'data/boundary/bc_80ns_T60.csv' ! File for boundary value -/ - -&Zbins - filename = 'data/TNZ/Sn.csv' ! File with table to get Z from Te and ne - ZList = 0.1, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0 ! Bins of average Z -/ - -¶llel - nThreads = 16 ! Number of threads for OpenMP -/ - diff --git a/input/input_fa_T30.nml b/input/input_fa_T30.nml deleted file mode 100644 index 082a30d..0000000 --- a/input/input_fa_T30.nml +++ /dev/null @@ -1,43 +0,0 @@ -&reference - m_ref = 1.9712258e-25 ! Ion mass [kg] - Temp_ref = 30.0 ! Plasma temperature [eV] - n_ref = 1.0e24 ! Plasma density [m^-3] -/ - -&grid - r0 = 10.0e-6 ! Initial position [m] - rf = 2.0e-3 ! Final position [m] - dr = 1.0e-6 ! Spatial step [m] - v0 = -50e3 ! Lower limit for velocity space [m s^-1] - vf = 250e3 ! Upper limit for velocity space [m s^-1] - nv = 401 ! Number of grid points in the velocity space -/ - -&output - folder = 'polytropic_fa_T30' ! Folder name - outputStep = 1e-9 ! Time step for file write [s] -/ - -&time - t0 = 0.0 ! Initial time [s] - tf = 2.0e-7 ! Final time [s] - cfl = 0.2 ! CFL condition (dt = CFL * dr / vf) -/ - -&detector - rCum = 1.0e-3 ! Position of the detector [m] -/ - -&boundary - filename = 'data/boundary/bc_fa_T30.csv' ! File for boundary value -/ - -&Zbins - filename = 'data/TNZ/Sn.csv' ! File with table to get Z from Te and ne - ZList = 0.1, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0 ! Bins of average Z -/ - -¶llel - nThreads = 16 ! Number of threads for OpenMP -/ - diff --git a/makefile b/makefile index de0165b..e210cc5 100644 --- a/makefile +++ b/makefile @@ -1,33 +1,15 @@ -# set folders -TOPDIR = $(PWD)# top directory -MODDIR := $(TOPDIR)/mod# module folder -OBJDIR := $(TOPDIR)/obj# object folder -SRCDIR := $(TOPDIR)/src# source folder - -# compiler -# gfortran: -FC := gfortran - -# compiler flags -# gfortran: -FCFLAGS := -fopenmp -Ofast -g -J $(MODDIR) -Wall -march=native - -#Output file -OUTPUT = vlaplex - -export - -all: $(OUTPUT) - -$(OUTPUT): src.o - -src.o: - @mkdir -p $(MODDIR) - @mkdir -p $(OBJDIR) - $(MAKE) -C src $(OUTPUT) +all: + gfortran moduleConstantParameters.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran moduleReferenceValues.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran moduleOutput.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran moduleTableBC.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran moduleTableTtoZ.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran moduleTableTtoZne.f90 -c -lopenblas -Ofast -fopenmp -Wall + gfortran vlaplex.f90 moduleConstantParameters.o moduleReferenceValues.o moduleOutput.o moduleTableBC.o moduleTableTtoZ.o moduleTableTtoZne.o -lopenblas -Ofast -fopenmp -Wall -o vlaplex clean: - rm -f $(OUTPUT) - rm -f $(MODDIR)/*.mod - rm -f $(MODDIR)/*.smod - rm -f $(OBJDIR)/*.o + rm -f vlaplex + rm -f *.mod + rm -f *.smod + rm -f *.o + diff --git a/src/modules/constantParameters.f90 b/moduleConstantParameters.f90 similarity index 100% rename from src/modules/constantParameters.f90 rename to moduleConstantParameters.f90 diff --git a/src/modules/output.f90 b/moduleOutput.f90 similarity index 80% rename from src/modules/output.f90 rename to moduleOutput.f90 index 0d3351a..1602bb0 100644 --- a/src/modules/output.f90 +++ b/moduleOutput.f90 @@ -29,25 +29,15 @@ module output end subroutine setTimeFormat - function setZFormat(Z) result(ZString) - real(dp), intent(in):: Z - character(len=4):: ZString - - write(ZString, '(F4.1)') Z - - end function setZFormat - - subroutine createPath(folder) - character(8) :: date_now - character(10):: time_now - character(:), allocatable:: folder + subroutine createPath() + character(8) :: date_now + character(10) :: time_now call date_and_time(date_now, time_now) !Compose the folder name pathOutput = date_now(1:4) // '-' // date_now(5:6) // '-' // date_now(7:8) // '_' // & - time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) // '_' // & - folder // '/' + time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) // '/' call system('mkdir ' // pathOutput) @@ -67,13 +57,16 @@ module output character(:), allocatable:: filename integer:: i, j character(len=10):: timeString - character(len=4) :: ZString + character(len=10) :: ZString do j = 1, nz write (timeString, formatTime) t - ZString = setZFormat(Z_list(j)) + write(ZString, '(F6.3)') Z_list(j) + ZString = adjustl(trim(ZString)) - filename = 'time_' // trim(timeString) // '_Z_' // trim(adjustl(ZString)) // '_f_i.csv' + ZString = adjustl(ZString) + ZString = ZString(:index(ZString // '.', '.') - 1) // ZString(index(ZString, '.') + 1:) + filename = 'time_' // trim(timeString) // '_Z' // trim(ZString) // '_f_i.csv' write (*, '(A, A)') 'Writing: ', filename open(unit=dataF_id, file=pathOutput // filename) @@ -149,13 +142,16 @@ module output integer:: i integer:: j character(len=10):: timeString - character(len=4) :: ZString + character(len=10) :: ZString do j = 1, nz write (timeString, formatTime) t - ZString = setZFormat(Z_list(j)) + write(ZString, '(F6.3)') Z_list(j) + ZString = adjustl(trim(ZString)) - filename = 'time_' // trim(timeString) // '_Z_' // trim(adjustl(ZString)) // '_mom_i.csv' + ZString = adjustl(ZString) + ZString = ZString(:index(ZString // '.', '.') - 1) // ZString(index(ZString, '.') + 1:) + filename = 'time_' // trim(timeString) // '_Z' // trim(ZString) // '_mom_i.csv' write (*, '(A, A)') 'Writing: ', filename open(unit=dataPhi_id, file=pathOutput//filename) @@ -167,8 +163,8 @@ module output do i = 1, nr write(dataPhi_id, '('//formatFloat//',3('//formatSep //','//formatFloat//'))') & r(i)*L_ref, & - n_i(j,i)*n_ref, & - u_i(j,i)*u_ref, & + n_i(j,i)*n_ref, & + u_i(j,i)*u_ref, & T_i(j,i)*Temp_ref/ev_to_K end do @@ -177,13 +173,13 @@ module output end do end subroutine writeOutputMom - subroutine writeOutputBoundary(t, dt, n, u, Temp, Z_Tne, Zinj) + subroutine writeOutputBoundary(t, dt, n, u, Temp, TtoZ, Zinj) use constantParameters, only: eV_to_K use referenceValues, only: t_ref, n_ref, u_ref, Temp_ref integer, intent(in):: t real(dp), intent(in):: dt - real(dp), intent(in):: n, u, Temp, Z_Tne, Zinj + real(dp), intent(in):: n, u, Temp, TtoZ, Zinj character(len=6), parameter:: filename = 'bc.csv' logical:: res @@ -191,43 +187,42 @@ module output if (.not. res) then write (*, '(A, A)') 'Writing: ', filename open(unit=dataBC_id, file=pathOutput // filename, action='write', position='append') - write(dataBC_id, '(A,5(' // formatSep // ',A))') 't (s)', 'n_i (m^-3)', 'u_i (m s^-1)', 'T_i (eV)', 'Zinj','Z_Tne' + write(dataBC_id, '(A,5(' // formatSep // ',A))') 't (s)', 'n (m^-3)', 'u (m s^-1)', 'T (eV)', 'TtoZ','Zinj' close(dataBC_id) end if open(unit=dataBC_id, file=pathOutput // filename, action='write', position='append') write(dataBC_id, '(' // formatFloat // ',5('// formatSep // ',' // formatFloat // '))') & - t*dt*t_ref, n*n_ref, u*u_ref, Temp*Temp_ref/eV_to_K, Zinj, Z_Tne + t*dt*t_ref, n*n_ref, u*u_ref, Temp*Temp_ref/eV_to_K, TtoZ, Zinj close(dataBC_id) end subroutine writeOutputBoundary -! JG: What is this procedure? -! subroutine writeOutputTime(t, time, bins) -! integer, intent(in):: t -! real(dp), intent(in):: time -! real(dp), intent(in):: bins -! character(len=8), parameter:: filename = 'time.csv' -! logical:: res -! -! inquire(file=pathOutput // filename, exist=res) -! if (.not. res) then -! write (*, '(A, A)') 'Writing: ', filename -! open(unit=dataTime_id, file=pathOutput // filename, action='write', position='append') -! write(dataTime_id, '(A,2(' // formatSep // ',A))') 'timestep', 'duration (s)', '#bins' -! close(dataTime_id) -! -! end if -! -! open(unit=dataTime_id, file=pathOutput // filename, action='write', position='append') -! write(dataTime_id, '(' // formatInt // ',2('// formatSep // ',' // formatFloat // '))') & -! t, time, bins -! -! close(dataTime_id) -! -! end subroutine writeOutputTime + subroutine writeOutputTime(t, time, bins) + integer, intent(in):: t + real(dp), intent(in):: time + real(dp), intent(in):: bins + character(len=8), parameter:: filename = 'time.csv' + logical:: res + + inquire(file=pathOutput // filename, exist=res) + if (.not. res) then + write (*, '(A, A)') 'Writing: ', filename + open(unit=dataTime_id, file=pathOutput // filename, action='write', position='append') + write(dataTime_id, '(A,2(' // formatSep // ',A))') 'timestep', 'duration (s)', '#bins' + close(dataTime_id) + + end if + + open(unit=dataTime_id, file=pathOutput // filename, action='write', position='append') + write(dataTime_id, '(' // formatInt // ',2('// formatSep // ',' // formatFloat // '))') & + t, time, bins + + close(dataTime_id) + + end subroutine writeOutputTime subroutine writeOutputZList(nz, Z_list) integer, intent(in):: nz @@ -279,14 +274,17 @@ module output character(:), allocatable:: filename integer:: i, j character(len=10):: timeString - character(len=4) :: ZString + character(len=10) :: ZString do j = 1, nz write (timeString, formatTime) t - ZString = setZFormat(Z_list(j)) + write(ZString, '(F6.3)') Z_list(j) + ZString = adjustl(trim(ZString)) - filename = 'time_' // trim(timeString) // '_Z_' // trim(adjustl(ZString)) // '_fCum_i.csv' + ZString = adjustl(ZString) + ZString = ZString(:index(ZString // '.', '.') - 1) // ZString(index(ZString, '.') + 1:) + filename = 'time_' // trim(timeString) // '_Z' // trim(ZString) // '_fCum_i.csv' write (*, '(A, A)') 'Writing: ', filename open(unit=dataCum_id, file=pathOutput // filename) diff --git a/src/modules/referenceValues.f90 b/moduleReferenceValues.f90 similarity index 77% rename from src/modules/referenceValues.f90 rename to moduleReferenceValues.f90 index 5a7e6d9..c93679e 100644 --- a/src/modules/referenceValues.f90 +++ b/moduleReferenceValues.f90 @@ -2,7 +2,6 @@ module referenceValues use constantParameters, only: dp implicit none - real(dp):: m_ref ! Reference values real(dp):: L_ref, t_ref, n_ref, u_ref, Temp_ref ! Reference values real(dp):: phi_ref ! Reference values diff --git a/src/modules/tableBoundary.f90 b/moduleTableBC.f90 similarity index 97% rename from src/modules/tableBoundary.f90 rename to moduleTableBC.f90 index dfcd081..a79337c 100644 --- a/src/modules/tableBoundary.f90 +++ b/moduleTableBC.f90 @@ -1,4 +1,4 @@ -module tableBoundary +module moduleTableBC use constantParameters, only: dp type:: tableBC @@ -61,7 +61,7 @@ module tableBoundary read(id, *) ! Skip header do read(id, '(A)', iostat = stat) dummy - !TODO: Make this a function + !TOdo: Make this a function if (stat /= 0) EXIT !Add data !TODO: substitute with extracting information from dummy @@ -132,5 +132,5 @@ module tableBoundary end subroutine getValueTableBC -end module tableBoundary +end module moduleTableBC diff --git a/moduleTableTtoZ.f90 b/moduleTableTtoZ.f90 new file mode 100644 index 0000000..61106de --- /dev/null +++ b/moduleTableTtoZ.f90 @@ -0,0 +1,116 @@ +module moduleTableTtoZ + use constantParameters, only: dp + + type:: tableTtoZ + real(dp):: Z_min, Z_max + real(dp):: Temp_min, Temp_max + real(dp), allocatable, dimension(:):: Temp + real(dp), allocatable, dimension(:):: Z + real(dp), allocatable, dimension(:):: Z_k + contains + procedure, pass:: init => initTableTtoZ + procedure, pass:: get => getValueTableTtoZ + + end type tableTtoZ + + contains + subroutine initTableTtoZ(self, tableFile) + use constantParameters, only: eV_to_K + use referenceValues, only: Temp_ref + implicit none + + class(tableTtoZ), intent(inout):: self + character(:), allocatable, intent(in):: tableFile + character(100):: dummy + integer:: amount + integer:: i + integer:: stat + integer:: id = 20 + + open(id, file = tableFile) + amount = -1 ! Remove header + do + read(id, '(A)', iostat = stat) dummy + !If EOF or error, exit file + if (stat /= 0) EXIT + ! !Skip comment + ! if (index(dummy,'#') /= 0) CYCLE + !Add row + amount = amount + 1 + + end do + + !Go bback to initial point + rewind(id) + + !Allocate table arrays + allocate(self%Temp(1:amount)) + allocate(self%Z(1:amount)) + allocate(self%Z_k(1:amount)) + self%Temp = 0.0_dp + self%Z = 0.0_dp + self%Z_k = 0.0_dp + + i = 0 + read(id, *) ! Skip header + do + read(id, '(A)', iostat = stat) dummy + !TOdo: Make this a function + if (stat /= 0) EXIT + !Add data + !TODO: substitute with extracting information from dummy + backspace(id) + i = i + 1 + read(id, *) self%Temp(i), self%Z(i) + + end do + self%Temp = self%Temp * eV_to_K / Temp_ref + + close(id) + + self%Temp_min = self%Temp(1) + self%Temp_max = self%Temp(amount) + self%Z_min = self%Z(1) + self%Z_max = self%Z(amount) + + do i = 1, amount - 1 + self%Z_k(i) = ( self%Z(i+1) - self%Z(i))/(self%Temp(i+1) - self%Temp(i)) + + end do + + end subroutine initTableTtoZ + + subroutine getValueTableTtoZ(self, Temp, Z) + implicit none + + class(tableTtoZ), intent(in):: self + real(dp), intent(in):: Temp + real(dp), intent(out):: Z + real(dp):: delta_Temp + integer:: i + + if (Temp <= self%Temp_min) THEN + Z = self%Z_min + + elseif (Temp >= self%Temp_max) THEN + Z = self%Z_max + + else + i = minloc(abs(Temp - self%Temp), 1) + delta_Temp = Temp - self%Temp(i) + if (delta_Temp < 0 ) THEN + i = i - 1 + delta_Temp = Temp - self%Temp(i) + + end if + + Z = self%Z(i) + self%Z_k(i)*delta_Temp + + end if + + end subroutine getValueTableTtoZ + + + +end module moduleTableTtoZ + diff --git a/src/modules/tableTNZ.f90 b/moduleTableTtoZne.f90 similarity index 91% rename from src/modules/tableTNZ.f90 rename to moduleTableTtoZne.f90 index 12cb341..be9abe3 100644 --- a/src/modules/tableTNZ.f90 +++ b/moduleTableTtoZne.f90 @@ -1,7 +1,7 @@ -module tableTNZ +module moduleTableTtoZne use constantParameters, only: dp - type:: tableTn_to_Z + type:: tableTtoZne real(dp) :: Z_min, Z_max real(dp) :: Temp_min, Temp_max real(dp), allocatable, dimension(:):: Temp @@ -12,7 +12,7 @@ module tableTNZ procedure, pass:: init => initTableTtoZne procedure, pass:: get => getValueTableTtoZne - end type tableTn_to_Z + end type tableTtoZne contains subroutine initTableTtoZne(self, tableFile) @@ -20,7 +20,7 @@ module tableTNZ use referenceValues, only: Temp_ref, n_ref implicit none - class(tableTn_to_Z), intent(inout):: self + class(tableTtoZne), intent(inout):: self character(:), allocatable, intent(in):: tableFile character(100):: dummy character(len=512) :: line @@ -31,13 +31,6 @@ module tableTNZ integer:: id = 20 num_ne = 0 - inquire(file=tableFile, iostat=stat) - if (stat /= 0) then - write (*, '("Error: TNZ table file ", a, " does not exist")') tableFile - return - - end if - open(id, file = tableFile) amount = -1 ! Remove header do @@ -117,7 +110,7 @@ module tableTNZ subroutine getValueTableTtoZne(self, Temp, ne, Z) implicit none - class(tableTn_to_Z), intent(in):: self + class(tableTtoZne), intent(in):: self real(dp), intent(in):: Temp, ne real(dp), intent(out):: Z real(dp):: delta_Temp @@ -151,5 +144,5 @@ module tableTNZ -end module tableTNZ +end module moduleTableTtoZne diff --git a/scripts_python/TZ_data.json b/scripts_python/TZ_data.json deleted file mode 100644 index b72c0cc..0000000 --- a/scripts_python/TZ_data.json +++ /dev/null @@ -1,641 +0,0 @@ -{ - "now": "2025-04-04T14:21:35.000Z", - "program": "ZVView, ver. 2021-09-16", - "file": "Copy of plotted data", - "f":"y(x)", - "title": "Tin Average Charge State", - "xAxis": "temperature", - "yAxis": "", - "xUnits": "eV", - "yUnits": "", - "xMin": 0.271593, - "xMax": 184099, - "xScale": 1, - "yScale": 0, - "funcs": [ - { - "ifunc":0, - "fName":"Ne = 1.0E+12", - "numCol":1, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.032965} - ,{"x":1, "y":0.92671} - ,{"x":1.5, "y":1.6823} - ,{"x":2, "y":1.9381} - ,{"x":5, "y":3.3694} - ,{"x":7, "y":3.8735} - ,{"x":10, "y":4.1766} - ,{"x":15, "y":4.9651} - ,{"x":23, "y":6.2945} - ,{"x":32, "y":7.4784} - ,{"x":52, "y":9.4762} - ,{"x":74, "y":11.197} - ,{"x":100, "y":12.921} - ,{"x":165, "y":19.431} - ,{"x":235, "y":21.062} - ,{"x":310, "y":21.488} - ,{"x":390, "y":21.742} - ,{"x":475, "y":21.969} - ,{"x":655, "y":22.552} - ,{"x":845, "y":23.504} - ,{"x":1000, "y":24.553} - ,{"x":1441, "y":28.026} - ,{"x":1925, "y":31.867} - ,{"x":2454, "y":36.133} - ,{"x":3030, "y":38.155} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.155} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.442} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.403} - ] - } - ,{ - "ifunc":1, - "fName":"Ne = 1.0E+13", - "numCol":2, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.033255} - ,{"x":1, "y":1.0488} - ,{"x":1.5, "y":1.8974} - ,{"x":2, "y":1.984} - ,{"x":5, "y":3.4598} - ,{"x":7, "y":3.8851} - ,{"x":10, "y":4.18} - ,{"x":15, "y":4.9679} - ,{"x":23, "y":6.2958} - ,{"x":32, "y":7.4791} - ,{"x":52, "y":9.4765} - ,{"x":74, "y":11.197} - ,{"x":100, "y":12.921} - ,{"x":165, "y":19.431} - ,{"x":235, "y":21.062} - ,{"x":310, "y":21.488} - ,{"x":390, "y":21.742} - ,{"x":475, "y":21.969} - ,{"x":655, "y":22.552} - ,{"x":845, "y":23.504} - ,{"x":1000, "y":24.553} - ,{"x":1441, "y":28.026} - ,{"x":1925, "y":31.867} - ,{"x":2454, "y":36.133} - ,{"x":3030, "y":38.155} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.155} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.442} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.403} - ] - } - ,{ - "ifunc":2, - "fName":"Ne = 1.0E+14", - "numCol":3, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.074263} - ,{"x":1, "y":1.7619} - ,{"x":1.5, "y":1.9889} - ,{"x":2, "y":1.9987} - ,{"x":5, "y":3.6943} - ,{"x":7, "y":3.9281} - ,{"x":10, "y":4.2053} - ,{"x":15, "y":4.9938} - ,{"x":23, "y":6.3082} - ,{"x":32, "y":7.4852} - ,{"x":52, "y":9.479} - ,{"x":74, "y":11.199} - ,{"x":100, "y":12.922} - ,{"x":165, "y":19.431} - ,{"x":235, "y":21.063} - ,{"x":310, "y":21.488} - ,{"x":390, "y":21.742} - ,{"x":475, "y":21.969} - ,{"x":655, "y":22.552} - ,{"x":845, "y":23.504} - ,{"x":1000, "y":24.553} - ,{"x":1441, "y":28.026} - ,{"x":1925, "y":31.867} - ,{"x":2454, "y":36.133} - ,{"x":3030, "y":38.155} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.155} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.442} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.403} - ] - } - ,{ - "ifunc":3, - "fName":"Ne = 1.0E+15", - "numCol":4, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.067024} - ,{"x":1, "y":1.8546} - ,{"x":1.5, "y":1.9951} - ,{"x":2, "y":2.0151} - ,{"x":5, "y":3.9202} - ,{"x":7, "y":4.027} - ,{"x":10, "y":4.3596} - ,{"x":15, "y":5.1831} - ,{"x":23, "y":6.4113} - ,{"x":32, "y":7.5405} - ,{"x":52, "y":9.5012} - ,{"x":74, "y":11.211} - ,{"x":100, "y":12.928} - ,{"x":165, "y":19.432} - ,{"x":235, "y":21.063} - ,{"x":310, "y":21.488} - ,{"x":390, "y":21.742} - ,{"x":475, "y":21.969} - ,{"x":655, "y":22.552} - ,{"x":845, "y":23.505} - ,{"x":1000, "y":24.553} - ,{"x":1441, "y":28.027} - ,{"x":1925, "y":31.867} - ,{"x":2454, "y":36.133} - ,{"x":3030, "y":38.155} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.155} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.442} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.403} - ] - } - ,{ - "ifunc":4, - "fName":"Ne = 1.0E+16", - "numCol":5, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.012541} - ,{"x":1, "y":1.4079} - ,{"x":1.5, "y":1.9792} - ,{"x":2, "y":2.0845} - ,{"x":5, "y":3.9919} - ,{"x":7, "y":4.2166} - ,{"x":10, "y":4.914} - ,{"x":15, "y":5.8148} - ,{"x":23, "y":6.8933} - ,{"x":32, "y":7.8899} - ,{"x":52, "y":9.6814} - ,{"x":74, "y":11.315} - ,{"x":100, "y":12.98} - ,{"x":165, "y":19.435} - ,{"x":235, "y":21.063} - ,{"x":310, "y":21.488} - ,{"x":390, "y":21.742} - ,{"x":475, "y":21.97} - ,{"x":655, "y":22.553} - ,{"x":845, "y":23.506} - ,{"x":1000, "y":24.555} - ,{"x":1441, "y":28.028} - ,{"x":1925, "y":31.868} - ,{"x":2454, "y":36.134} - ,{"x":3030, "y":38.156} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.155} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.442} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.404} - ] - } - ,{ - "ifunc":5, - "fName":"Ne = 1.0E+17", - "numCol":6, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.0014986} - ,{"x":1, "y":0.44787} - ,{"x":1.5, "y":1.8165} - ,{"x":2, "y":2.0197} - ,{"x":5, "y":3.9944} - ,{"x":7, "y":4.4865} - ,{"x":10, "y":5.5905} - ,{"x":15, "y":6.7704} - ,{"x":23, "y":7.9337} - ,{"x":32, "y":8.891} - ,{"x":52, "y":10.474} - ,{"x":74, "y":11.947} - ,{"x":100, "y":13.325} - ,{"x":165, "y":19.456} - ,{"x":235, "y":21.065} - ,{"x":310, "y":21.49} - ,{"x":390, "y":21.745} - ,{"x":475, "y":21.974} - ,{"x":655, "y":22.563} - ,{"x":845, "y":23.521} - ,{"x":1000, "y":24.569} - ,{"x":1441, "y":28.035} - ,{"x":1925, "y":31.872} - ,{"x":2454, "y":36.136} - ,{"x":3030, "y":38.156} - ,{"x":3655, "y":38.94} - ,{"x":4331, "y":39.397} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.156} - ,{"x":6685, "y":40.618} - ,{"x":7585, "y":41.202} - ,{"x":8546, "y":41.919} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.441} - ,{"x":50000, "y":47.852} - ,{"x":100000, "y":48.404} - ] - } - ,{ - "ifunc":6, - "fName":"Ne = 1.0E+18", - "numCol":7, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":0.00019982} - ,{"x":1, "y":0.064341} - ,{"x":1.5, "y":0.85685} - ,{"x":2, "y":1.6966} - ,{"x":5, "y":3.9218} - ,{"x":7, "y":4.4706} - ,{"x":10, "y":5.8288} - ,{"x":15, "y":7.578} - ,{"x":23, "y":9.2131} - ,{"x":32, "y":10.343} - ,{"x":52, "y":12.203} - ,{"x":74, "y":13.329} - ,{"x":100, "y":14.264} - ,{"x":165, "y":19.576} - ,{"x":235, "y":21.076} - ,{"x":310, "y":21.503} - ,{"x":390, "y":21.77} - ,{"x":475, "y":22.018} - ,{"x":655, "y":22.657} - ,{"x":845, "y":23.649} - ,{"x":1000, "y":24.693} - ,{"x":1441, "y":28.092} - ,{"x":1925, "y":31.894} - ,{"x":2454, "y":36.144} - ,{"x":3030, "y":38.158} - ,{"x":3655, "y":38.941} - ,{"x":4331, "y":39.398} - ,{"x":5060, "y":39.77} - ,{"x":5844, "y":40.156} - ,{"x":6685, "y":40.619} - ,{"x":7585, "y":41.203} - ,{"x":8546, "y":41.92} - ,{"x":10000, "y":43.042} - ,{"x":20000, "y":46.437} - ,{"x":50000, "y":47.851} - ,{"x":100000, "y":48.403} - ] - } - ,{ - "ifunc":7, - "fName":"Ne = 1.0E+19", - "numCol":8, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":4.0615e-5} - ,{"x":1, "y":0.009011} - ,{"x":1.5, "y":0.12002} - ,{"x":2, "y":0.56798} - ,{"x":5, "y":3.4289} - ,{"x":7, "y":4.0527} - ,{"x":10, "y":5.4859} - ,{"x":15, "y":7.6474} - ,{"x":23, "y":10.06} - ,{"x":32, "y":11.848} - ,{"x":52, "y":13.767} - ,{"x":74, "y":14.563} - ,{"x":100, "y":16.174} - ,{"x":165, "y":19.984} - ,{"x":235, "y":21.158} - ,{"x":310, "y":21.628} - ,{"x":390, "y":22.016} - ,{"x":475, "y":22.426} - ,{"x":655, "y":23.377} - ,{"x":845, "y":24.505} - ,{"x":1000, "y":25.5} - ,{"x":1441, "y":28.514} - ,{"x":1925, "y":32.066} - ,{"x":2454, "y":36.197} - ,{"x":3030, "y":38.169} - ,{"x":3655, "y":38.945} - ,{"x":4331, "y":39.4} - ,{"x":5060, "y":39.773} - ,{"x":5844, "y":40.159} - ,{"x":6685, "y":40.622} - ,{"x":7585, "y":41.206} - ,{"x":8546, "y":41.923} - ,{"x":10000, "y":43.04} - ,{"x":20000, "y":46.395} - ,{"x":50000, "y":47.839} - ,{"x":100000, "y":48.401} - ] - } - ,{ - "ifunc":8, - "fName":"Ne = 1.0E+20", - "numCol":9, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":2.139e-5} - ,{"x":1, "y":0.0019556} - ,{"x":1.5, "y":0.018338} - ,{"x":2, "y":0.073538} - ,{"x":5, "y":2.1985} - ,{"x":7, "y":3.1813} - ,{"x":10, "y":4.3789} - ,{"x":15, "y":6.5863} - ,{"x":23, "y":9.5938} - ,{"x":32, "y":12.154} - ,{"x":52, "y":14.35} - ,{"x":74, "y":16.437} - ,{"x":100, "y":18.34} - ,{"x":165, "y":20.65} - ,{"x":235, "y":21.779} - ,{"x":310, "y":22.783} - ,{"x":390, "y":23.65} - ,{"x":475, "y":24.425} - ,{"x":655, "y":25.796} - ,{"x":845, "y":27.004} - ,{"x":1000, "y":27.888} - ,{"x":1441, "y":30.187} - ,{"x":1925, "y":33.06} - ,{"x":2454, "y":36.547} - ,{"x":3030, "y":38.245} - ,{"x":3655, "y":38.972} - ,{"x":4331, "y":39.415} - ,{"x":5060, "y":39.785} - ,{"x":5844, "y":40.172} - ,{"x":6685, "y":40.638} - ,{"x":7585, "y":41.225} - ,{"x":8546, "y":41.941} - ,{"x":10000, "y":43.041} - ,{"x":20000, "y":46.243} - ,{"x":50000, "y":47.781} - ,{"x":100000, "y":48.391} - ] - } - ,{ - "ifunc":9, - "fName":"Ne = 1.0E+21", - "numCol":10, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":8.6796e-5} - ,{"x":1, "y":0.0012015} - ,{"x":1.5, "y":0.0061077} - ,{"x":2, "y":0.017414} - ,{"x":5, "y":1.0162} - ,{"x":7, "y":2.0528} - ,{"x":10, "y":3.0096} - ,{"x":15, "y":4.8753} - ,{"x":23, "y":7.6568} - ,{"x":32, "y":10.348} - ,{"x":52, "y":13.822} - ,{"x":74, "y":16.818} - ,{"x":100, "y":19.1} - ,{"x":165, "y":22.57} - ,{"x":235, "y":24.342} - ,{"x":310, "y":25.709} - ,{"x":390, "y":26.883} - ,{"x":475, "y":27.889} - ,{"x":655, "y":29.46} - ,{"x":845, "y":30.595} - ,{"x":1000, "y":31.34} - ,{"x":1441, "y":33.437} - ,{"x":1925, "y":35.945} - ,{"x":2454, "y":37.71} - ,{"x":3030, "y":38.614} - ,{"x":3655, "y":39.138} - ,{"x":4331, "y":39.525} - ,{"x":5060, "y":39.883} - ,{"x":5844, "y":40.28} - ,{"x":6685, "y":40.767} - ,{"x":7585, "y":41.379} - ,{"x":8546, "y":42.105} - ,{"x":10000, "y":43.18} - ,{"x":20000, "y":46.152} - ,{"x":50000, "y":47.725} - ,{"x":100000, "y":48.381} - ] - } - ,{ - "ifunc":10, - "fName":"Ne = 1.0E+22", - "numCol":11, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":1.0393} - ,{"x":1, "y":1.2424} - ,{"x":1.5, "y":1.4551} - ,{"x":2, "y":1.6071} - ,{"x":5, "y":2.1738} - ,{"x":7, "y":2.3232} - ,{"x":10, "y":2.6442} - ,{"x":15, "y":3.7366} - ,{"x":23, "y":5.8249} - ,{"x":32, "y":8.0823} - ,{"x":52, "y":11.952} - ,{"x":74, "y":14.41} - ,{"x":100, "y":17.488} - ,{"x":165, "y":24.02} - ,{"x":235, "y":27.042} - ,{"x":310, "y":29.179} - ,{"x":390, "y":30.612} - ,{"x":475, "y":31.573} - ,{"x":655, "y":33.326} - ,{"x":845, "y":34.893} - ,{"x":1000, "y":35.843} - ,{"x":1441, "y":37.5} - ,{"x":1925, "y":38.396} - ,{"x":2454, "y":38.942} - ,{"x":3030, "y":39.341} - ,{"x":3655, "y":39.695} - ,{"x":4331, "y":40.066} - ,{"x":5060, "y":40.5} - ,{"x":5844, "y":41.033} - ,{"x":6685, "y":41.673} - ,{"x":7585, "y":42.387} - ,{"x":8546, "y":43.107} - ,{"x":10000, "y":43.994} - ,{"x":20000, "y":46.237} - ,{"x":50000, "y":47.722} - ,{"x":100000, "y":48.387} - ] - } - ,{ - "ifunc":11, - "fName":"Ne = 1.0E+23", - "numCol":12, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":4} - ,{"x":1, "y":4} - ,{"x":1.5, "y":3.1272} - ,{"x":2, "y":3.1804} - ,{"x":5, "y":3.4601} - ,{"x":7, "y":3.5987} - ,{"x":10, "y":3.805} - ,{"x":15, "y":4.3015} - ,{"x":23, "y":5.5703} - ,{"x":32, "y":7.3753} - ,{"x":52, "y":10.315} - ,{"x":74, "y":12.332} - ,{"x":100, "y":14.468} - ,{"x":165, "y":19.988} - ,{"x":235, "y":26.448} - ,{"x":310, "y":29.602} - ,{"x":390, "y":31.778} - ,{"x":475, "y":33.775} - ,{"x":655, "y":36.183} - ,{"x":845, "y":37.386} - ,{"x":1000, "y":37.966} - ,{"x":1441, "y":38.913} - ,{"x":1925, "y":39.567} - ,{"x":2454, "y":40.176} - ,{"x":3030, "y":40.815} - ,{"x":3655, "y":41.501} - ,{"x":4331, "y":42.217} - ,{"x":5060, "y":42.923} - ,{"x":5844, "y":43.575} - ,{"x":6685, "y":44.14} - ,{"x":7585, "y":44.609} - ,{"x":8546, "y":44.989} - ,{"x":10000, "y":45.409} - ,{"x":20000, "y":46.694} - ,{"x":50000, "y":47.853} - ,{"x":100000, "y":48.44} - ] - } - ,{ - "ifunc":12, - "fName":"Ne = 1.0E+24", - "numCol":13, - "typSoed":1, - "typUsi":-1, - "lx":36, - "i0x":0, - "i1x":35, - "pts":[ - {"x":0.5, "y":8} - ,{"x":1, "y":8} - ,{"x":1.5, "y":8} - ,{"x":2, "y":8.0001} - ,{"x":5, "y":8.0069} - ,{"x":7, "y":8.0197} - ,{"x":10, "y":8.0501} - ,{"x":15, "y":8.1262} - ,{"x":23, "y":8.3073} - ,{"x":32, "y":7.9918} - ,{"x":52, "y":9.3773} - ,{"x":74, "y":11.177} - ,{"x":100, "y":12.915} - ,{"x":165, "y":16.245} - ,{"x":235, "y":23.165} - ,{"x":310, "y":26.987} - ,{"x":390, "y":29.485} - ,{"x":475, "y":31.555} - ,{"x":655, "y":35.008} - ,{"x":845, "y":36.799} - ,{"x":1000, "y":37.754} - ,{"x":1441, "y":39.94} - ,{"x":1925, "y":41.496} - ,{"x":2454, "y":42.632} - ,{"x":3030, "y":43.504} - ,{"x":3655, "y":44.197} - ,{"x":4331, "y":44.779} - ,{"x":5060, "y":45.238} - ,{"x":5844, "y":45.603} - ,{"x":6685, "y":45.9} - ,{"x":7585, "y":46.147} - ,{"x":8546, "y":46.365} - ,{"x":10000, "y":46.634} - ,{"x":20000, "y":47.448} - ,{"x":50000, "y":48.101} - ,{"x":100000, "y":48.558} - ] - } - ] -} \ No newline at end of file diff --git a/scripts_python/TtoZne.py b/scripts_python/TtoZne.py index 4e7b860..cd5a329 100644 --- a/scripts_python/TtoZne.py +++ b/scripts_python/TtoZne.py @@ -22,9 +22,9 @@ for func in data["funcs"]: T_values[T] = [] T_values[T].append(Z) - T_sorted = sorted(T_values.keys()) -Z_avg = [np.mean(T_values[T]) for T in T_sorted] +Z_avg = [np.mean(T_values[T]) for x in T_sorted] +# y_std = [np.std(x_values[x]) for x in x_sorted] # Save to CSV diff --git a/scripts_python/plotBC.py b/scripts_python/plotBC.py index 9e756d6..05173b5 100644 --- a/scripts_python/plotBC.py +++ b/scripts_python/plotBC.py @@ -4,17 +4,16 @@ import numpy as np import readBC -paths = ['../2025-04-15_13.33.28/'] -time, n_i, u_i, T_i, Zinj, Z_Tne = readBC.read(paths[0] + 'bc.csv') +fileBC = glob.glob('../2025-02-10_11.14.59/bc.csv') +time, n, u, T, TtoZ, Zinj = readBC.read(fileBC[0]) fig, ax = plt.subplots() -n_e = n_i * Zinj -plt.plot(time, n_e / n_e[0], label = f"$n_e$ ($\\times {n_e[0] * 1e-6:.0e} \\; cm^{{-3}})$") -plt.plot(time, T_i / T_i[0], label = f"$T \\; (\\times{T_i[0]:.1f} \\; eV)$") -plt.plot(time, Zinj, label = "Zinj") -# plt.plot(time, Z_Tne, label = "Z_Tne") +plt.plot(time, n / n[0] , label = f"$n_i$ ($\\times {n[0] * 1e-6} \\; cm^{{-3}})$") +plt.plot(time, T / T[0], label = f"$T \\; (\\times{T[0]} \\; eV)$") +plt.plot(time, TtoZ, label = "$Z$") +plt.plot(time, Zinj, label = "Injection species") plt.semilogy() plt.legend() plt.show() diff --git a/scripts_python/plotCumF.py b/scripts_python/plotCumF.py index 5c5b500..8a72112 100644 --- a/scripts_python/plotCumF.py +++ b/scripts_python/plotCumF.py @@ -1,6 +1,5 @@ import readPhi import readF -import readZlist import matplotlib.pyplot as plt import glob import numpy as np @@ -14,32 +13,25 @@ m_i = 1.9712e-25 # paths = ['../quasiNeutral_fullAblation/','../Poisson_fullAblation/', '../quasiNeutral_partialAblation/', '../Poisson_partialAblation/'] # paths = ['../2024-12-02_21.07.52/', '../Poisson_50ns_T30Z11/'] # paths = ['../2024-12-10_18.45.17/', '../Poisson_50ns_T30Z11/'] -# paths = ['../2024-12-11_12.38.27/', '../Poisson_polytropic_fa_T30Z11/', '../Poisson_fa_T30Z11/'] +paths = ['../2024-12-11_12.38.27/', '../Poisson_polytropic_fa_T30Z11/', '../Poisson_fa_T30Z11/'] # paths = ['../Poisson_partialAblation/','../Poisson_partialAblation_lowerT/','../Poisson_partialAblation_lowT/','../Poisson_partialAblation_highT/'] -paths = ['../2025-04-17_14.39.34/'] labels = [path[3:-1] for path in paths] -m2s2_to_eV = m_i*0.5/e - for path, label in zip(paths, labels): - Zlist = readZlist.read(path+'ZList.csv') filesCum_i = sorted(glob.glob(path+'time_*_fCum_i.csv')) - _, _, v, _ = readF.read(filesCum_i[-1]) - sumF = np.zeros(len(v)) - E = v**2*m2s2_to_eV + # start = 0 + # end = len(filesCum_i) + # every = 20 + # for fileCum_i in filesCum_i[start:end+1:every]: + # time, x, v, f_i = readF.read(fileCum_i) + # plt.plot(v**2*m_i*0.5/e, f_i[0]*e/m_i/v, label='t = {:.1f} ns'.format(time*1e9)) - for Z in Zlist: - filename='time_*_Z_{:.1f}_fCum_i.csv'.format(Z) - filesCum_i = sorted(glob.glob(path+filename)) - time, rCum, v, f_i = readF.read(filesCum_i[-1]) - sumF += f_i[0] - plt.plot(E, 4.0*np.pi*rCum[0]**2*f_i[0]/E, label=Z) - plt.plot(E, 4.0*np.pi*rCum[0]**2*sumF/E, label='sum', color='k', linestyle='dashed') - print(time) + time, x, v, f_i = readF.read(filesCum_i[-1]) + plt.plot(v**2*m_i*0.5/e, f_i[0]*e/m_i/v, label=label) plt.yscale('log') -plt.ylim([1e8,5e11]) -plt.ylabel('dN / dE (eV^-1)') +plt.ylim([1e16,5e27]) +plt.ylabel('Sum f(e) / sqrt(e) (m^-3 eV^-1)') plt.xscale('log') plt.xlim([1e0,1e4]) plt.xlabel('e (eV)') diff --git a/scripts_python/plotMom.py b/scripts_python/plotMom.py index 0da99b8..f980681 100644 --- a/scripts_python/plotMom.py +++ b/scripts_python/plotMom.py @@ -1,7 +1,6 @@ import readPhi import readMom import readF -import readZlist import matplotlib.pyplot as plt import glob import numpy as np @@ -12,45 +11,29 @@ from scipy.constants import e, k # paths = ['../quasiNeutral_partialAblation/','../Poisson_partialAblation/'] # paths = ['../2024-10-02_14.30.44/'] # paths = ['../quasiNeutral_fullAblation/','../Poisson_fullAblation/'] -# paths = ['../2025-04-10_11.59.02/'] -paths = ['../polytropic_80ns_T30/'] +paths = ['../2024-12-10_18.45.17/'] labels = [path[3:-1] for path in paths] for path, label in zip(paths, labels): - Zlist = readZlist.read(path+'ZList.csv') filesPhi = sorted(glob.glob(path+'time_*_phi.csv')) - start = 80 - end = 85#len(filesPhi) - every = 1 - fig, ax = plt.subplots(3, sharex='all') - ax[1].set_yscale('log') - ax[1].set_ylim(bottom=1e10, top=1e24) - _, r, _, _, _ = readPhi.read(filesPhi[0]) - for t in range(start,end+1,every): - sum_Zni = np.zeros(len(r)) - ave_ui = np.zeros(len(r)) - ave_Ti = np.zeros(len(r)) - for Z in Zlist: - filename='time_*_Z_{:.1f}_mom_i.csv'.format(Z) - filesMom_i = sorted(glob.glob(path+filename)) - fileMom_i = filesMom_i[t] - time, r, n_i, u_i, T_i, Zave = readMom.read(fileMom_i) - sum_Zni += Zave*n_i - ave_ui += Zave*n_i*u_i - ave_Ti += Zave*n_i*T_i - - ave_ui = np.divide(ave_ui, sum_Zni, out=np.zeros_like(ave_ui), where=sum_Zni!=0.0) - ave_Ti = np.divide(ave_Ti, sum_Zni, out=np.zeros_like(ave_Ti), where=sum_Zni!=0.0) - - filePhi = filesPhi[t] - time, r, phi, E, n_e = readPhi.read(filePhi) + filesMom_i = sorted(glob.glob(path+'time_*_mom_i.csv')) + start = 50 + end = len(filesMom_i) + every = 20 + fig, ax = plt.subplots(4, sharex='all') + for fileMom_i, filePhi in zip(filesMom_i[start:end+1:every], filesPhi[start:end+1:every]): + time, r, phi, E, n_e = readPhi.read(filePhi) + time, r, n_i, u_i, T_i, Zave = readMom.read(fileMom_i) ax[0].plot(r, phi, label='t = {:.1f} ns'.format(time*1e9)) # ax[0].plot(r, E, label='t = {:.1f} ns'.format(time*1e9)) # ax[0].plot(r, (Zave*n_i - n_e), label='t = {:.1f} ns'.format(time*1e9)) - ax[1].plot(r, sum_Zni) + ax[1].set_yscale('log') + # ax[1].set_ylim(bottom=1e16) + ax[1].plot(r, Zave*n_i) ax[1].plot(r, n_e, color='k', linestyle='dashed') - ax[2].plot(r, ave_ui) + ax[2].plot(r, u_i) + ax[3].plot(r, T_i) ax[0].set_title(label) ax[0].legend() diff --git a/scripts_python/readBC.py b/scripts_python/readBC.py index 1ed9474..10be123 100644 --- a/scripts_python/readBC.py +++ b/scripts_python/readBC.py @@ -4,12 +4,12 @@ def read(filename): # Get time df = pandas.read_csv(filename) time = df['t (s)'].to_numpy() - n = df['n_i (m^-3)'].to_numpy() - u = df['u_i (m s^-1)'].to_numpy() - T = df['T_i (eV)'].to_numpy() + n = df['n (m^-3)'].to_numpy() + u = df['u (m s^-1)'].to_numpy() + T = df['T (eV)'].to_numpy() + TtoZ = df['TtoZ'].to_numpy() Zinj = df['Zinj'].to_numpy() - Z_Tne = df['Z_Tne'].to_numpy() - return time, n, u, T, Zinj, Z_Tne + return time, n, u, T, TtoZ, Zinj diff --git a/scripts_python/readF.py b/scripts_python/readF.py index 37ac329..7fe3c15 100644 --- a/scripts_python/readF.py +++ b/scripts_python/readF.py @@ -5,12 +5,9 @@ def read(filename): df = pandas.read_csv(filename,skiprows=0,nrows=1) time = df['t (s)'].to_numpy()[0] - df = pandas.read_csv(filename,skiprows=2,nrows=1) - Z = df['Z'].to_numpy()[0] - - df = pandas.read_csv(filename,skiprows=4,nrows=1,header=None) + df = pandas.read_csv(filename,skiprows=2,nrows=1,header=None) x = df.to_numpy()[0][1:] - df = pandas.read_csv(filename,skiprows=5,header=None) + df = pandas.read_csv(filename,skiprows=3,header=None) f = [] for col in df: if col == 0: diff --git a/src/makefile b/src/makefile deleted file mode 100644 index 8baded5..0000000 --- a/src/makefile +++ /dev/null @@ -1,16 +0,0 @@ -OBJECTS = $(OBJDIR)/constantParameters.o \ - $(OBJDIR)/input.o \ - $(OBJDIR)/output.o \ - $(OBJDIR)/referenceValues.o \ - $(OBJDIR)/tableBoundary.o \ - $(OBJDIR)/tableTNZ.o - - -all: $(OUTPUT) - -$(OUTPUT): modules.o $(OUTPUT).f90 - $(FC) $(FCFLAGS) -o $(OBJDIR)/$(OUTPUT).o -c $(OUTPUT).f90 - $(FC) $(FCFLAGS) -o $(TOPDIR)/$(OUTPUT) $(OBJECTS) $(OBJDIR)/$(OUTPUT).o -lopenblas - -modules.o: - $(MAKE) -C modules all diff --git a/src/modules/input.f90 b/src/modules/input.f90 deleted file mode 100644 index 5b2e832..0000000 --- a/src/modules/input.f90 +++ /dev/null @@ -1,207 +0,0 @@ -module input - use constantParameters, only: dp - implicit none - - character(:), allocatable:: inputFile - integer:: inputFile_id, inputFile_io - - - contains - subroutine openInputFile() - - inquire(file=inputFile, iostat=inputfile_io) - - if (inputFile_io /= 0) then - write (*, '("Error: input file ", a, " does not exist")') inputFile - return - - end if - - open(action='read', file=inputFile, iostat=inputFile_io, newunit=inputFile_id) - - end subroutine openInputFile - - subroutine checkIO(subroutineName) - - character(len=*), intent(in):: subroutineName - - if (inputFile_io < 0) then - write (*, '("End-of-file found when reading in subroutine: ",a)') subroutineName - error stop - - elseif (inputFile_io > 0) then - write (*, '("Error condition ", i3," found when reading in subroutine: ",a)') inputFile_io, subroutineName - error stop - - end if - - inputFile_io = 0 - - end subroutine checkIO - - subroutine readReference() - use constantParameters, only: dp, kb, qe, eps_0, ev_to_K, cm3_to_m3, PI - use referenceValues - - namelist /reference/ m_ref, Temp_ref, n_ref - - read(nml=reference, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - ! Set reference numbers (in SI units) - Temp_ref = Temp_ref * eV_to_K - n_ref = n_ref - t_ref = sqrt(eps_0 * m_ref / (n_ref * 1.0_dp * qe**2)) ! 1.0_dp represents Z = 1 for reference values - u_ref = sqrt(kb * Temp_ref / m_ref) - L_ref = u_ref * t_ref - phi_ref = kb * Temp_ref / qe - - call checkIO('readReference') - - end subroutine readReference - - subroutine readGrid(r0, rf, dr, v0, vf, nv) - use referenceValues, only: L_ref, u_ref - - real(dp), intent(out):: r0, rf, dr - real(dp), intent(out):: v0, vf - integer, intent(out):: nv - namelist /grid/ r0, rf, dr, v0, vf, nv - - read(nml=grid, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readGrid') - - r0 = r0/L_ref - rf = rf/L_ref - dr = dr/L_ref - - v0 = v0/u_ref - vf = vf/u_ref - - end subroutine readGrid - - subroutine readOutput(folder_alloc, outputStep) - - character(:), allocatable, intent(out):: folder_alloc - real(dp), intent(out):: outputStep - character(len=128):: folder - namelist /output/ folder, outputStep - - read(nml=output, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readOutput') - - folder_alloc = trim(folder) - - end subroutine readOutput - - subroutine readTime(t0, tf, CFL) - use referenceValues, only: t_ref - - real(dp), intent(out):: t0, tf, CFL - - namelist /time/ t0, tf, CFL - - read(nml=time, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readTime') - - t0 = t0/t_ref - tf = tf/t_ref - - end subroutine readTime - - subroutine readDetector(rCum) - use referenceValues, only: L_ref - - real(dp), intent(out):: rCum - namelist /detector/ rCum - - read(nml=detector, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readDetector') - - ! Set position to calculate cumulative sum of f (non-dimensional units) - rCum = rCum/L_ref - - end subroutine readDetector - - subroutine readBoundary(bc) - use tableBoundary - - type(tableBC), intent(out):: bc - character(len=128):: filename - character(:), allocatable:: filename_dynamic ! Needed to pass as an argument, might delete - namelist /boundary/ filename - - read(nml=boundary, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readBoundary') - - filename_dynamic = trim(filename) - - call bc%init(filename_dynamic) - - end subroutine readBoundary - - subroutine readZ(Zlist, nz, Tene_to_Z) - use tableTNZ - - real(dp), allocatable, intent(out):: Zlist(:) - integer, intent(out):: nz - type(tableTn_to_Z), intent(out):: Tene_to_Z - real(dp), allocatable:: ZList_dummy(:) - character(len=128):: filename - character(:), allocatable:: filename_dynamic ! Needed to pass as an argument, might delete - namelist /Zbins/ ZList, filename - - ! List of dummy size - allocate(ZList(1:99)) - ZList = -1.0_dp - - ! Read namelist - read(nml=Zbins, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readZ') - - ! Get the real Z bins - nz = count(ZList > 0.0_dp) - allocate(ZList_dummy(1:nz)) - ZList_dummy = ZList(1:nz) - - ! Copy to final list - deallocate(ZList) - ZList = ZList_dummy - deallocate(ZList_dummy) - - filename_dynamic = trim(filename) - call Tene_to_Z%init(filename_dynamic) - - end subroutine readZ - - subroutine readParallel(nThreads) - - integer, intent(out):: nThreads - namelist /parallel/ nThreads - - read(nml=parallel, unit=inputFile_id, iostat=inputFile_io) - rewind(unit=inputFile_id) - - call checkIO('readParallel') - - end subroutine readParallel - - subroutine closeInputFile() - - close(inputFile_id) - - end subroutine closeInputFile - -end module input diff --git a/src/modules/makefile b/src/modules/makefile deleted file mode 100644 index 30e0954..0000000 --- a/src/modules/makefile +++ /dev/null @@ -1,15 +0,0 @@ -OBJS = constantParameters.o \ - input.o \ - output.o \ - referenceValues.o \ - tableBoundary.o \ - tableTNZ.o - -all: $(OBJS) - -input.o: referenceValues.o tableBoundary.o tableTNZ.o input.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -%.o: %.f90 - $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ - diff --git a/src/vlaplex.f90 b/vlaplex.f90 similarity index 64% rename from src/vlaplex.f90 rename to vlaplex.f90 index 4c5d4fa..5031648 100644 --- a/src/vlaplex.f90 +++ b/vlaplex.f90 @@ -1,26 +1,48 @@ + module eos + use constantParameters, only: dp + implicit none + + private + public:: T_to_Z + + contains + pure function T_to_Z(T) result(Z) + use constantParameters, only: eV_to_K + use referenceValues, only: Temp_ref + implicit none + + real(dp), intent(in):: T + real(dp):: Z + + Z = 22.5 * (Temp_ref * T / eV_to_K / 100.0)**0.6 + + end function T_to_Z + +end module eos + program VlaPlEx use constantParameters, only: dp, kb, qe, eps_0, ev_to_K, cm3_to_m3, PI - use input use output use referenceValues - use tableBoundary - use tableTNZ + use eos, only: T_to_Z + use moduleTableBC + use moduleTableTtoZ + use moduleTableTtoZne use omp_lib implicit none + real(dp), parameter:: m_i = 1.9712258e-25_dp ! Tin atom mass in kg real(dp), parameter:: gamma_i = 1.0_dp ! Adiabatic coefficient for ions real(dp), parameter:: m_e = 9.1093837e-31_dp ! Electron mass in kg real(dp), parameter:: gamma_e = 4.0_dp / 3.0_dp ! Adiabatic coefficient for electrons real(dp), parameter:: gamma_e_exp = 1.0_dp /(gamma_e - 1.0_dp) ! Exponent for polytropic electrons real(dp), parameter:: gamma_e_dexp = (2.0_dp - gamma_e)/(gamma_e - 1.0_dp) ! Exponent for polytropic db_dphi - real(dp), parameter:: n_epsilon = 1.0e-16_dp real(dp):: r0, rf real(dp), allocatable, dimension(:):: r real(dp):: v0, vf real(dp), allocatable, dimension(:):: v real(dp):: t0, tf - real(dp):: CFL real(dp):: time real(dp):: dr, dv, dt integer:: nr, nv, nt, nz @@ -31,8 +53,13 @@ program VlaPlEx real(dp):: Zave_bc, Zave_bc_old ! Average charge state real(dp):: u_bc ! Injection velocity real(dp):: n_bc ! Injection density + real(dp):: c_s ! Ion sound speed type(tableBC):: boundaryConditions - type(tableTn_to_Z):: Tene_to_Z + character(:), allocatable:: bc_file + type(tableTtoZ):: TtoZ + character(:), allocatable:: TtoZ_file + type(tableTtoZne):: TtoZne + character(:), allocatable:: TtoZne_file real(dp), allocatable, dimension(:,:,:):: f_i, f_i_old real(dp), allocatable, dimension(:):: f0 ! Boundary at r = x_0 @@ -43,7 +70,7 @@ program VlaPlEx real(dp), allocatable, dimension(:,:):: T_i real(dp), allocatable, dimension(:):: n_e real(dp), allocatable, dimension(:):: Zave - real(dp), allocatable, dimension(:):: Zlist + real(dp), allocatable, dimension(:):: Z_list real(dp), allocatable, dimension(:):: diag, diag_low, diag_high real(dp), allocatable, dimension(:,:):: A real(dp), allocatable, dimension(:):: Res @@ -53,54 +80,58 @@ program VlaPlEx real(dp), allocatable, dimension(:):: phi, phi_old, E, db_dphi real(dp):: phiConv real(dp):: phi0 - real(dp):: T_e0 + real(dp):: T_e ! real(dp):: phiF integer:: k - integer:: nThreads ! number of threads for OpenMP - real(dp), allocatable, dimension(:,:):: fCum_i real(dp):: rCum integer:: rCum_index - real(dp):: outputStep - character(:), allocatable:: folder - - character(len=128):: arg - - CALL get_command_argument(1, arg) - if (arg == '') then - write (*, '(a)') "No input file provided" - return - - end if - inputFile = trim(arg) - call openInputFile() - call readReference() - call readParallel(nThreads) - call readGrid(r0, rf, dr, v0, vf, nv) - call readOutput(folder, outputStep) - call readTime(t0, tf, CFL) - call readDetector(rCum) - call readBoundary(boundaryConditions) - call readZ(Zlist, nz, Tene_to_Z) - call closeInputFile() ! Set number of threads - call omp_set_num_threads(nThreads) + call omp_set_num_threads(8) - ! Grid in the position space + ! Set reference numbers (in SI units) + Temp_ref = 30.0_dp * eV_to_K + n_ref = 1.0e20_dp * cm3_to_m3 + t_ref = sqrt(eps_0 * m_i / (n_ref * 1.0_dp * qe**2)) ! 1.0_dp represents Z = 1 for reference values + u_ref = sqrt(kb * Temp_ref / m_i) + L_ref = u_ref * t_ref + phi_ref = kb * Temp_ref / qe + + ! Set input parameters (remember these have to be in non-dimensional units) + c_s = sqrt(11.0_dp * gamma_i * 1.0_dp) + bc_file = 'bc.csv' + call boundaryConditions%init(bc_file) + TtoZ_file = 'average_TtoZ_curve.csv' + call TtoZ%init(TtoZ_file) + TtoZne_file = 'Zave_values_per_Ne.csv' + call TtoZne%init(TtoZne_file) + + ! Set domain boundaries (non-dimensional units) + r0 = 10.0e-6_dp / L_ref + rf = 2.0e-3_dp / L_ref + dr = 1.0e-6_dp / L_ref nr = nint((rf - r0) / dr) + 1 dr = (rf - r0) / float(nr-1) + allocate(r(1:nr)) do i = 1, nr r(i) = dr * float(i-1) + r0 end do + ! Set position to calculate cumulative sum of f (non-dimensional units) + rCum = 1.0e-3 / L_ref + ! Index for cumulative sum rCum_index = minloc(abs(r - rCum), 1) - ! Grid in the velocity space - dv = (vf - v0) / float(nv-1) + v0 =-1.0e1_dp*c_s + vf = 2.0e1_dp*c_s + dv = 1.0e-1_dp + nv = nint((vf - v0) / dv) + 1 + dv = (vf - v0) / float(nv-1) + allocate(v(1:nv)) do j = 1, nv v(j) = dv * float(j-1) + v0 @@ -112,11 +143,14 @@ program VlaPlEx j0 = j0 + 1 end if - dt = CFL*dr/vf + t0 = 0.0_dp + tf = 2.0e-7_dp / t_ref + ! tf = 1.0e1_dp * (rf - r0) / c_s + dt = 1.0e-2_dp*dr/c_s nt = nint((tf - t0) / dt) dt = (tf - t0) / float(nt) - everyOutput = nint(outputStep/t_ref/dt) + everyOutput = nint(1.0e-9_dp/t_ref/dt) if (everyOutput == 0) then everyOutput = 1 @@ -128,30 +162,35 @@ program VlaPlEx end if + write(*, '(A,ES0.4e3)') 'CFL: ', dt*vf/dr + + nz = 2 ! Allocate vectors allocate(f_i(1:nz,1:nr,1:nv), f_i_old(1:nz,1:nr,1:nv)) allocate(n_i(1:nz,1:nr)) allocate(sum_ni(1:nr)) allocate(u_i(1:nz,1:nr), E_i(1:nr), T_i(1:nz,1:nr)) allocate(Zave(1:nr)) + allocate(Z_list(1:nz)) allocate(n_e(1:nr)) allocate(phi(1:nr), phi_old(1:nr), E(1:nr)) allocate(fCum_i(1:nz,1:nv)) - f_i = 0.0_dp - f_i_old = 0.0_dp - n_i = 0.0_dp - sum_ni = 0.0_dp - u_i = 0.0_dp - E_i = 0.0_dp - T_i = 0.0_dp - n_e = 0.0_dp - T_e0 = 0.0_dp - Zave = 0.0_dp + f_i = 0.0_dp + f_i_old = 0.0_dp + n_i = 0.0_dp + sum_ni = 0.0_dp + u_i = 0.0_dp + E_i = 0.0_dp + T_i = 0.0_dp + n_e = 0.0_dp + T_e = 0.0_dp + Zave = 0.0_dp + Z_list = (/ 6.0, 12.0 /) Zave_bc_old = 0.0_dp - phi = 0.0_dp - phi_old = 0.0_dp - E = 0.0_dp - fCum_i = 0.0_dp + phi = 0.0_dp + phi_old = 0.0_dp + E = 0.0_dp + fCum_i = 0.0_dp ! Allocate matrix for Poisson equation allocate(diag(1:nr), diag_low(1:nr-1), diag_high(1:nr-1)) @@ -195,31 +234,31 @@ program VlaPlEx f0 = 0.0_dp ! Output initial values - call createPath(folder) + call createPath() call setTimeFormat(nt) t = 0 call writeOutputRef() ! call writeOutputF(t, dt, nr, r, nv, v, f_i_old) - call writeOutputFCum(t, dt, nz, r(rCum_index), nv, v, fCum_i, Zlist) + call writeOutputFCum(t, dt, nz, r(rCum_index), nv, v, fCum_i, Z_list) call writeOutputPhi(t, dt, nr, r, phi, E, n_e) - call writeOutputMom(t, dt, nz, nr, r, n_i, u_i, T_i, Zlist) - call writeOutputZList(nz, Zlist) + call writeOutputMom(t, dt, nz, nr, r, n_i, u_i, T_i, Z_list) + call writeOutputZList(nz, Z_list) ! Main loop do t = 1, nt time = t * dt + t0 - - ! Get boundary conditions for specific time call boundaryConditions%get(time, n_bc, u_bc, Temp_bc) - ! Find new \bar{Z}_i based on T_e0 = Temp_bc and n_e = n_bc - call Tene_to_Z%get(Temp_bc, n_bc, Zave_bc) - ! Assign Z(T,n) to bin - z_inj = minloc(abs(Zlist - Zave_bc),1) - ! Calculate inject (sonic) speed - u_bc = sqrt(Zlist(z_inj)* Temp_bc) - ! Calculate ion density to inject - n_bc = n_bc / Zlist(z_inj) - call writeOutputBoundary(t, dt, n_bc, u_bc, Temp_bc, Zave_bc, Zlist(z_inj)) + call TtoZ%get(Temp_bc, Zave_bc) + z_inj = minloc(abs(Z_list - Zave_bc),1) + Zave_bc = Z_list(z_inj) + do while (Zave_bc - Zave_bc_old > 0.1_dp) + Zave_bc_old = Zave_bc + call TtoZne%get(Temp_bc, Zave_bc * n_bc, Zave_bc) + z_inj = minloc(abs(Z_list - Zave_bc),1) + Zave_bc = Z_list(z_inj) + end do + call writeOutputBoundary(t, dt, Zave_bc*n_bc, u_bc, Temp_bc, Zave_bc, Zave_bc) + u_bc = sqrt(Zave_bc * Temp_bc) ! f0(j0:nv) = v(j0:nv)**2 / sqrt(PI*Temp_bc**3) * exp(-(v(j0:nv) - u_bc)**2 / Temp_bc) f0(j0:nv) = 1.0_dp / sqrt(PI*Temp_bc) * exp(-(v(j0:nv) - u_bc)**2 / Temp_bc) @@ -229,7 +268,7 @@ program VlaPlEx f_i_old(z_inj,1,j0:nv) = f0 f_i(:,1,j0:nv) = f_i_old(:,1,j0:nv) - T_e0 = Temp_bc + T_e = Temp_bc ! r = rf, v<0 f_i_old(:,nr,1:j0-1) = 0.0_dp @@ -240,7 +279,7 @@ program VlaPlEx sum_ni = 0.0_dp ! Advect in the r direction do iz = 1, nz - if (all(n_i(iz,:) < n_epsilon) .and. iz .ne. z_inj) then + if (all(n_i(iz,:) < 1.0e-16_dp) .and. iz .NE. z_inj) then cycle end if !$omp parallel do @@ -248,29 +287,27 @@ program VlaPlEx ! Advect negative velocity if (i < nr) then f_i(iz,i,1:j0-1) = f_i_old(iz,i,1:j0-1) - v(1:j0-1)*dt/dr/r(i)**2*(r(i+1)**2*f_i_old(iz,i+1,1:j0-1) - & - r(i )**2*f_i_old(iz,i ,1:j0-1)) + r(i )**2*f_i_old(iz,i ,1:j0-1)) end if ! Advect positive velocity if (i > 1) then f_i(iz,i,j0:nv) = f_i_old(iz,i, j0:nv) - v( j0:nv)*dt/dr/r(i)**2*(r(i )**2*f_i_old(iz,i , j0:nv) - & - r(i-1)**2*f_i_old(iz,i-1, j0:nv)) + r(i-1)**2*f_i_old(iz,i-1, j0:nv)) end if n_i(iz,i) = sum(f_i(iz,i,:))*dv - if (n_i(iz,i) > n_epsilon) then - u_i(iz,i) = sum(v(:) *f_i(iz,i,:))*dv / n_i(iz,i) - E_i(i) = sum(v(:)**2*f_i(iz,i,:))*dv / n_i(iz,i) - T_i(iz,i) = 2.0_dp*E_i(i) - 2.0_dp*u_i(iz,i)**2 + if (n_i(iz,i) > 1.0e-10_dp) then + u_i(iz,i) = sum(v(:) *f_i(iz,i,:))*dv / n_i(iz,i) + E_i(i) = sum(v(:)**2*f_i(iz,i,:))*dv / n_i(iz,i) + T_i(iz,i) = 2.0_dp*E_i(i) - 2.0_dp*u_i(iz,i)**2 else - f_i(iz,i,:) = 0.0_dp - n_i(iz,i) = 0.0_dp - u_i(iz,i) = 0.0_dp - T_i(iz,i) = 0.0_dp + u_i(iz,i) = 0.0_dp + T_i(iz,i) = 0.0_dp end if end do !$omp end parallel do - sum_ni = sum_ni + Zlist(iz) * n_i(iz,:) + sum_ni = sum_ni + Z_list(iz) * n_i(iz,:) end do ! Assume quasi-neutrality to start iterating @@ -308,12 +345,12 @@ program VlaPlEx ! phi0=phi(1) ! Neumann ! Calculate distribution of electrons - ! n_e = sum_ni(1) * exp((phi- phi0) / T_e0) ! Isothermal (Boltzmann) - n_e = sum_ni(1) * (1.0_dp + (gamma_e - 1.0_dp)/gamma_e*(phi-phi0)/T_e0)**gamma_e_exp !Polytropic + ! n_e = sum_ni(1) * exp((phi- phi0) / T_e) ! Isothermal (Boltzmann) + n_e = sum_ni(1) * (1.0_dp + (gamma_e - 1.0_dp)/gamma_e*(phi-phi0)/T_e)**gamma_e_exp !Polytropic ! Diagonal matrix for Newton integration scheme - ! db_dphi = n_e / T_e0 ! Isothermal (Boltzmann) - db_dphi = sum_ni(1) / (gamma_e * T_e0) * & - (1.0_dp + (gamma_e - 1.0_dp)/gamma_e*(phi-phi0)/T_e0)**gamma_e_dexp !Polytropic + ! db_dphi = n_e / T_e ! Isotropic + db_dphi = sum_ni(1) / (gamma_e * T_e) * & + (1.0_dp + (gamma_e - 1.0_dp)/gamma_e*(phi-phi0)/T_e)**gamma_e_dexp !Polytropic ! Check if the solution has converged phiConv = maxval(abs(Res),1) @@ -323,8 +360,8 @@ program VlaPlEx end if ! ! Calculate new potential to ensure 0 current at the edge - ! if (n_i(nr) > n_epsilon) then - ! phiF = phi0 + T_e0 * log((2.0_dp*sqrt(pi)*Zave(nr)*n_i(nr)*u_i(nr)) / (Zave(1)*n_i(1)*sqrt(m_i*T_e0/m_e))) + ! if (n_i(nr) > 1.0e-10_dp) then + ! phiF = phi0 + T_e * log((2.0_dp*sqrt(pi)*Zave(nr)*n_i(nr)*u_i(nr)) / (Zave(1)*n_i(1)*sqrt(m_i*T_e/m_e))) ! ! else ! phiF = phi(nr-5) @@ -349,25 +386,25 @@ program VlaPlEx f_i_old = f_i do iz = 1, nz - if (all(n_i(iz,:) < n_epsilon) .and. iz .ne. z_inj) then + if (all(n_i(iz,:) < 1.0e-16_dp) .and. iz .NE. z_inj) then cycle end if ! Advect in the v direction ! i = 1, v<0 i = 1 if (E(i) >= 0.0_dp) then - f_i(iz,i,2:j0-2) = f_i_old(iz,i,2:j0-2) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,2:j0-2) - f_i_old(iz,i,1:j0-3)) + f_i(iz,i,2:j0-2) = f_i_old(iz,i,2:j0-2) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,2:j0-2) - f_i_old(iz,i,1:j0-3)) else - f_i(iz,i,2:j0-2) = f_i_old(iz,i,2:j0-2) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,3:j0-1) - f_i_old(iz,i,2:j0-2)) + f_i(iz,i,2:j0-2) = f_i_old(iz,i,2:j0-2) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,3:j0-1) - f_i_old(iz,i,2:j0-2)) end if ! i = 2, nr-1; all v !$omp parallel do do i = 2, nr-1 if (E(i) >= 0.0_dp) then - f_i(iz,i,2:nv-1) = f_i_old(iz,i,2:nv-1) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,2:nv-1) - f_i_old(iz,i,1:nv-2)) + f_i(iz,i,2:nv-1) = f_i_old(iz,i,2:nv-1) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,2:nv-1) - f_i_old(iz,i,1:nv-2)) else - f_i(iz,i,2:nv-1) = f_i_old(iz,i,2:nv-1) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,3:nv) - f_i_old(iz,i,2:nv-1)) + f_i(iz,i,2:nv-1) = f_i_old(iz,i,2:nv-1) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,3:nv) - f_i_old(iz,i,2:nv-1)) end if @@ -376,9 +413,9 @@ program VlaPlEx ! i = nr, v>=0 i = nr if (E(i) >= 0.0_dp) then - f_i(iz,i,j0+1:nv-1) = f_i_old(iz,i,j0+1:nv-1) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,j0+1:nv-1) - f_i_old(iz,i,j0:nv-2)) + f_i(iz,i,j0+1:nv-1) = f_i_old(iz,i,j0+1:nv-1) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,j0+1:nv-1) - f_i_old(iz,i,j0:nv-2)) else - f_i(iz,i,j0+1:nv-1) = f_i_old(iz,i,j0+1:nv-1) - Zlist(iz)*E(i)*dt/dv*(f_i_old(iz,i,j0+2:nv) - f_i_old(iz,i,j0+1:nv-1)) + f_i(iz,i,j0+1:nv-1) = f_i_old(iz,i,j0+1:nv-1) - Z_list(iz)*E(i)*dt/dv*(f_i_old(iz,i,j0+2:nv) - f_i_old(iz,i,j0+1:nv-1)) end if end do @@ -386,17 +423,17 @@ program VlaPlEx ! Reset values for next iteration f_i_old = f_i do iz = 1, nz - if (all(n_i(iz,:) < n_epsilon) .and. iz .ne. z_inj) then + if (all(n_i(iz,:) < 1.0e-16_dp) .and. iz .NE. z_inj) then cycle end if - fCum_i(iz,:) = fCum_i(iz,:) + f_i_old(iz,rCum_index,:)*dt*(v+dv/2.0)*dv + fCum_i(iz,:) = fCum_i(iz,:) + f_i_old(iz,rCum_index,:) end do ! Write output if (mod(t,everyOutput) == 0 .or. t == nt) then - ! call writeOutputF(t, dt, nz, nr, r, nv, v, f_i_old, Zlist) + call writeOutputF(t, dt, nz, nr, r, nv, v, f_i_old, Z_list) call writeOutputPhi(t, dt, nr, r, phi, E, n_e) - call writeOutputMom(t, dt, nz, nr, r, n_i, u_i, T_i, Zlist) - call writeOutputFCum(t, dt, nz, r(rCum_index), nv, v, fCum_i, Zlist) + call writeOutputMom(t, dt, nz, nr, r, n_i, u_i, T_i, Z_list) + call writeOutputFCum(t, dt, nz, r(rCum_index), nv, v, fCum_i, Z_list) end if