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 @@
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-USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
-DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
-PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
-EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
-SUCH DAMAGES.
-
- 17. Interpretation of Sections 15 and 16.
-
- If the disclaimer of warranty and limitation of liability provided
-above cannot be given local legal effect according to their terms,
-reviewing courts shall apply local law that most closely approximates
-an absolute waiver of all civil liability in connection with the
-Program, unless a warranty or assumption of liability accompanies a
-copy of the Program in return for a fee.
-
- END OF TERMS AND CONDITIONS
-
- How to Apply These Terms to Your New Programs
-
- If you develop a new program, and you want it to be of the greatest
-possible use to the public, the best way to achieve this is to make it
-free software which everyone can redistribute and change under these terms.
-
- To do so, attach the following notices to the program. It is safest
-to attach them to the start of each source file to most effectively
-state the exclusion of warranty; and each file should have at least
-the "copyright" line and a pointer to where the full notice is found.
-
-
- Copyright (C)
-
- This program is free software: you can redistribute it and/or modify
- it under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- This program is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
-
- You should have received a copy of the GNU General Public License
- along with this program. 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..3fbaa85 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, '(F4.1)') 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, '(F4.1)') 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",
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- "i0x":0,
- "i1x":35,
- "pts":[
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- ,{"x":74, "y":11.947}
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- ,{"x":50000, "y":47.852}
- ,{"x":100000, "y":48.404}
- ]
- }
- ,{
- "ifunc":6,
- "fName":"Ne = 1.0E+18",
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- "typSoed":1,
- "typUsi":-1,
- "lx":36,
- "i0x":0,
- "i1x":35,
- "pts":[
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- ,{"x":1000, "y":24.693}
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- ,{"x":50000, "y":47.851}
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- ]
- }
- ,{
- "ifunc":7,
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- "typUsi":-1,
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- "i0x":0,
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- ,{"x":5, "y":3.4289}
- ,{"x":7, "y":4.0527}
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- ,{"x":50000, "y":47.839}
- ,{"x":100000, "y":48.401}
- ]
- }
- ,{
- "ifunc":8,
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- ,{"x":2454, "y":36.547}
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- ,{"x":50000, "y":47.781}
- ,{"x":100000, "y":48.391}
- ]
- }
- ,{
- "ifunc":9,
- "fName":"Ne = 1.0E+21",
- "numCol":10,
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- "typUsi":-1,
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- ]
- }
- ,{
- "ifunc":10,
- "fName":"Ne = 1.0E+22",
- "numCol":11,
- "typSoed":1,
- "typUsi":-1,
- "lx":36,
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- }
- ,{
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- ,{"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/rate_coef.py b/scripts_python/rate_coef.py
new file mode 100644
index 0000000..4c908e6
--- /dev/null
+++ b/scripts_python/rate_coef.py
@@ -0,0 +1,66 @@
+import re
+import pandas as pd
+
+file_path = "rate_coef_Sn.dat"
+
+with open(file_path, "r") as f:
+ content = f.read()
+
+lines = content.splitlines()
+
+# Dictionary to store tables with their respective dataframes
+tables = {}
+current_table = None
+headers = []
+data_rows = []
+
+# Mapping for the short names to full descriptions
+full_name_map = {
+ "ci": "electron_impact_direct_ionization",
+ "ea": "electron_impact_excitation_autoionization",
+ "rr": "radiative_recombination",
+ "dr": "dielectronic_recombination",
+ "bb": "bound_bound_radiative_loss_rates",
+ "bf": "recombination_radiative_loss_rates",
+ "csd": "charge_state_distribution"
+}
+
+# Regular expression to detect a table header (e.g., "ci temp Sn0+ Sn1+ ...")
+header_pattern = re.compile(r'^(ci|ea|rr|dr|bb|bf|csd)\s+temp')
+
+# Iterate through each line in the file
+for line in lines:
+ if header_pattern.match(line):
+ if current_table and headers and data_rows:
+ headers = ['temp' if h == 'temp' else re.sub(r'\D', '', h) for h in headers]
+ df = pd.DataFrame(data_rows, columns=headers)
+ df.iloc[:, 0] = pd.to_numeric(df.iloc[:, 0], errors='coerce') # Convert temp column to numeric
+ df.set_index(headers[0], inplace=True)
+ tables[current_table] = df
+
+ parts = line.strip().split()
+ current_table = parts[0]
+ headers = parts[1:]
+ data_rows = []
+ elif current_table and line.strip() and not line.strip().startswith("#"):
+ parts = line.strip().split()
+ if len(parts) == len(headers) + 1:
+ data_rows.append(parts)
+ elif len(parts) == len(headers):
+ data_rows.append(parts)
+
+# Save the last table
+if current_table and headers and data_rows:
+ df = pd.DataFrame(data_rows, columns=headers)
+ df.iloc[:, 0] = pd.to_numeric(df.iloc[:, 0], errors='coerce')
+ df.set_index(headers[0], inplace=True)
+ tables[current_table] = df
+
+# Save all tables to CSV files with full descriptive names
+csv_paths = {}
+for name, df in tables.items():
+ full_name = full_name_map.get(name, name) # Default to name if no mapping found
+ path = f"{full_name}.csv"
+ df.to_csv(path)
+ csv_paths[name] = path
+
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 55%
rename from src/vlaplex.f90
rename to vlaplex.f90
index 4c5d4fa..04d3163 100644
--- a/src/vlaplex.f90
+++ b/vlaplex.f90
@@ -1,26 +1,70 @@
+ 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
+
+ module Temperature
+ use constantParameters, only: dp
+ implicit none
+
+ private
+ public:: T_function
+
+ contains
+ pure function T_function(T0,n0, ne, gamma_e) result(T)
+ use constantParameters, only: eV_to_K
+ implicit none
+
+ real(dp), intent(in):: T0, n0, ne, gamma_e
+ real(dp):: T
+
+ T = T0 * (ne/n0)**(gamma_e -1.0_dp)
+
+ end function T_function
+
+end module Temperature
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 Temperature, only: T_function
+ use moduleTableBC
+ use moduleTableTtoZ
+ use moduleTableTtoZne
+ use moduleTableRateCoeff
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 +75,17 @@ 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
+ type(tableRateCoeff):: recombination_rateCoeff
+ character(:), allocatable:: recombination_rate_file
+ type(tableRateCoeff):: ionization_rateCoeff
+ character(:), allocatable:: ionization_rate_file
real(dp), allocatable, dimension(:,:,:):: f_i, f_i_old
real(dp), allocatable, dimension(:):: f0 ! Boundary at r = x_0
@@ -43,7 +96,7 @@ 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 +106,64 @@ 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):: recombination_rate
+ real(dp):: ionization_rate
! 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)
+ recombination_rate_file = 'dr.csv'
+ call recombination_rateCoeff%init(recombination_rate_file)
+ ionization_rate_file = 'ci.csv'
+ call ionization_rateCoeff%init(ionization_rate_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 +175,14 @@ 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 +194,37 @@ 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
+ recombination_rate = 0.0_dp
+ ionization_rate = 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 +268,31 @@ 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 +302,7 @@ 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
@@ -238,9 +311,37 @@ program VlaPlEx
f_i_old(:,:,1) = 0.0_dp
f_i_old(:,:,nv) = 0.0_dp
sum_ni = 0.0_dp
+
+ ! --- Recombination Step --- !
+ do iz = 2, nz
+ do i = 2, nr
+ call recombination_rateCoeff%get(T_function(Temp_bc, n_e(1), n_e(i), gamma_e), Z_list(iz), recombination_rate)
+ ! Recombination of current charge state
+ f_i(iz,i,:) = f_i_old(iz,i,:) - f_i_old(iz,i,:) * dt * recombination_rate * n_e(i)
+
+ ! Transfer recombination density to lower charge state
+ f_i(iz - 1,i,:) = f_i_old(iz - 1,i,:) + f_i_old(iz,i,:) * dt * recombination_rate * n_e(i)
+ end do
+ f_i_old = f_i
+ end do
+
+
+ ! --- Ionization Step --- !
+ do iz = 1, nz - 1
+ do i = 2, nr
+ call ionization_rateCoeff%get(T_function(Temp_bc, n_e(1), n_e(i), gamma_e), Z_list(iz), ionization_rate)
+ ! Ionization of current charge state
+ f_i(iz,i,:) = f_i_old(iz,i,:) - f_i_old(iz,i,:) * dt * ionization_rate * n_e(i)
+
+ ! Transfer ionization density to higher charge state
+ f_i(iz + 1,i,:) = f_i_old(iz + 1,i,:) + f_i_old(iz,i,:) * dt * ionization_rate * n_e(i)
+ end do
+ f_i_old = f_i
+ end do
+
! Advect in the r direction
do iz = 1, nz
- if (all(n_i(iz,:) < n_epsilon) .and. iz .ne. z_inj) then
+ if (all(f_i(iz,:,:) < 1.0e-16_dp) .and. iz .NE. z_inj) then
cycle
end if
!$omp parallel do
@@ -248,29 +349,27 @@ program VlaPlEx
! Advect negative velocity
if (i < nr) then
f_i(iz,i,1:j0-1) = f_i_old(iz,i,1:j0-1) - v(1:j0-1)*dt/dr/r(i)**2*(r(i+1)**2*f_i_old(iz,i+1,1:j0-1) - &
- r(i )**2*f_i_old(iz,i ,1:j0-1))
+ r(i )**2*f_i_old(iz,i ,1:j0-1))
end if
! Advect positive velocity
if (i > 1) then
f_i(iz,i,j0:nv) = f_i_old(iz,i, j0:nv) - v( j0:nv)*dt/dr/r(i)**2*(r(i )**2*f_i_old(iz,i , j0:nv) - &
- r(i-1)**2*f_i_old(iz,i-1, j0:nv))
+ r(i-1)**2*f_i_old(iz,i-1, j0:nv))
end if
n_i(iz,i) = sum(f_i(iz,i,:))*dv
- if (n_i(iz,i) > n_epsilon) then
- u_i(iz,i) = sum(v(:) *f_i(iz,i,:))*dv / n_i(iz,i)
- E_i(i) = sum(v(:)**2*f_i(iz,i,:))*dv / n_i(iz,i)
- T_i(iz,i) = 2.0_dp*E_i(i) - 2.0_dp*u_i(iz,i)**2
+ if (n_i(iz,i) > 1.0e-10_dp) then
+ u_i(iz,i) = sum(v(:) *f_i(iz,i,:))*dv / n_i(iz,i)
+ E_i(i) = sum(v(:)**2*f_i(iz,i,:))*dv / n_i(iz,i)
+ T_i(iz,i) = 2.0_dp*E_i(i) - 2.0_dp*u_i(iz,i)**2
else
- f_i(iz,i,:) = 0.0_dp
- n_i(iz,i) = 0.0_dp
- u_i(iz,i) = 0.0_dp
- T_i(iz,i) = 0.0_dp
+ u_i(iz,i) = 0.0_dp
+ T_i(iz,i) = 0.0_dp
end if
end do
!$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 +407,12 @@ 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 +422,8 @@ 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 +448,25 @@ 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(f_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 +475,9 @@ 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 +485,17 @@ 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