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Intermediate push

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I still have to figure out how to do this properly, but I am tired of
working on my laptop.
This commit is contained in:
Jorge Gonzalez 2023-09-22 18:18:46 +02:00
commit 286e858d66
10 changed files with 166 additions and 139 deletions
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38
src/modules/init/moduleInput.f90
View file

@ -339,10 +339,9 @@ MODULE moduleInput
!Mean velocity and temperature at particle position
REAL(8):: velocityXi(1:3), temperatureXi
INTEGER:: nNewPart = 0.D0
CLASS(meshCell), POINTER:: cell
TYPE(particle), POINTER:: partNew
CLASS(meshCell), POINTER:: cell
REAL(8):: vTh
TYPE(lNode), POINTER:: partCurr, partNext
CALL config%info('solver.initial', found, n_children = nInitial)
@ -371,9 +370,12 @@ MODULE moduleInput
!Calculate number of particles
nNewPart = INT(densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / species(sp)%obj%weight)
!Allocate new particles
!Allocate array of particles for this species
ALLOCATE(partOld(sp)%p(1:nNewPart))
!Create new particles
DO p = 1, nNewPart
ALLOCATE(partNew)
partNew = partOld(sp)%p(p)
partNew%species => species(sp)%obj
partNew%r = mesh%cells(e)%obj%randPos()
partNew%Xi = mesh%cells(e)%obj%phy2log(partNew%r)
@ -408,9 +410,6 @@ MODULE moduleInput
partNew%weight = species(sp)%obj%weight
!Assign particle to temporal list of particles
CALL partInitial%add(partNew)
!Assign particle to list in volume
IF (listInCells) THEN
cell => meshforMCC%cells(partNew%cellColl)%obj
@ -430,30 +429,10 @@ MODULE moduleInput
END DO
END DO
!Convert temporal list of particles into initial partOld array
!Deallocate the list of initial particles
nNewPart = partInitial%amount
IF (nNewPart > 0) THEN
ALLOCATE(partOld(1:nNewPart))
partCurr => partInitial%head
DO p = 1, nNewPart
partNext => partCurr%next
partOld(p) = partCurr%part
DEALLOCATE(partCurr)
partCurr => partNext
nPartOld(sp) = SIZE(partOld(sp)%p)
END DO
IF (ASSOCIATED(partInitial%head)) NULLIFY(partInitial%head)
IF (ASSOCIATED(partInitial%tail)) NULLIFY(partInitial%tail)
partInitial%amount = 0
END IF
nPartOld = SIZE(partOld)
END IF
END SUBROUTINE readInitial
@ -600,7 +579,10 @@ MODULE moduleInput
END DO
!Allocate the wrapper array that contains particles
ALLOCATE(partOld(1:nSpecies))
!Set number of particles to 0 for init state
ALLOCATE(nPartOld(1:nSpecies))
nPartOld = 0
!Initialize the lock for the non-analogue (NA) list of particles

6
src/modules/mesh/moduleMesh.f90
View file

@ -884,7 +884,7 @@ MODULE moduleMesh
!Obtain the cross sections for the different processes
!TODO: From here it might be a procedure in interactionMatrix
vRel = NORM2(part_i%v-part_j%v)
rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m)
rMass = reducedMass(part_i%weight*part_i%species%mass, part_j%weight*part_j%species%mass)
eRel = rMass*vRel**2
CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel)
@ -1079,7 +1079,7 @@ MODULE moduleMesh
!Compute changes in velocity for each particle
deltaV_ij(p,1:3) = MATMUL(rotation, W) + velocity - partTemp%part%v
mass_ij(p) = pair%sp_i%m*partTemp%part%weight
mass_ij(p) = pair%sp_i%mass*partTemp%part%weight
p_ij(p,1:3) = mass_ij(p)*partTemp%part%v
!Move to the next particle in the list
@ -1162,7 +1162,7 @@ MODULE moduleMesh
!Compute changes in velocity for each particle
deltaV_ji(p,1:3) = MATMUL(rotation, W) + velocity - partTemp%part%v
mass_ji(p) = pair%sp_j%m*partTemp%part%weight
mass_ji(p) = pair%sp_j%mass*partTemp%part%weight
p_ji(p,1:3) = mass_ji(p)*partTemp%part%v
!Move to the next particle in the list

4
src/modules/mesh/moduleMeshBoundary.f90
View file

@ -125,7 +125,7 @@ MODULE moduleMeshBoundary
SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj)
TYPE IS(boundaryIonization)
mRel = reducedMass(bound%m0, part%species%m)
mRel = reducedMass(bound%m0, part%species%mass)
vRel = SUM(DABS(part%v-bound%v0))
eRel = mRel*vRel**2*5.D-1
@ -238,7 +238,7 @@ MODULE moduleMeshBoundary
!Get relative velocity
vRel = NORM2(part%v)
!Convert to relative energy
eRel = part%species%m*vRel**2*5.D-1
eRel = part%species%mass*vRel**2*5.D-1
!If energy is abound threshold calculate secondary electrons
IF (eRel >= bound%energyThreshold) THEN

12
src/modules/moduleCollisions.f90
View file

@ -164,8 +164,8 @@ MODULE moduleCollisions
self%amount = amount
mass_i = species(i)%obj%m
mass_j = species(j)%obj%m
mass_i = species(i)%obj%mass
mass_j = species(j)%obj%mass
ALLOCATE(self%collisions(1:self%amount))
@ -227,8 +227,8 @@ MODULE moduleCollisions
REAL(8):: m_i, m_j
REAL(8), DIMENSION(1:3):: vCM, vp
m_i = part_i%species%m
m_j = part_j%species%m
m_i = part_i%species%mass
m_j = part_j%species%mass
!Applies the collision
vCM = velocityCM(part_i%weight*m_i, part_i%v, part_j%weight*m_j, part_j%v)
vp = vRel*randomDirectionVHS()
@ -283,7 +283,7 @@ MODULE moduleCollisions
END SELECT
!momentum change per ionization process
collision%deltaV = sqrt(collision%eThreshold / collision%electron%m)
collision%deltaV = sqrt(collision%eThreshold / collision%electron%mass)
END SELECT
@ -307,7 +307,7 @@ MODULE moduleCollisions
REAL(8), DIMENSION(1:3):: vChange
TYPE(particle), POINTER:: newElectron => NULL(), remainingNeutral => NULL()
rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m)
rMass = reducedMass(part_i%weight*part_i%species%mass, part_j%weight*part_j%species%mass)
eRel = rMass*vRel**2
!Relative energy must be higher than threshold
IF (eRel > self%eThreshold) THEN

10
src/modules/moduleCoulomb.f90
View file

@ -61,7 +61,7 @@ MODULE moduleCoulomb
self%sp_i => species(i)%obj
self%sp_j => species(j)%obj
self%one_plus_massRatio_ij = 1.D0 + self%sp_i%m/self%sp_j%m
self%one_plus_massRatio_ij = 1.D0 + self%sp_i%mass/self%sp_j%mass
Z_i = 0.D0
Z_j = 0.D0
@ -87,11 +87,11 @@ MODULE moduleCoulomb
scaleFactor = (n_ref * qe**4 * ti_ref) / (eps_0**2 * m_ref**2 * v_ref**3)
self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%m**2) * scaleFactor !Missing density because it's cell dependent
self%A_j = Z_j**2*Z_i**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_j%m**2) * scaleFactor !Missing density because it's cell dependent
self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%mass**2) * scaleFactor !Missing density because it's cell dependent
self%A_j = Z_j**2*Z_i**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_j%mass**2) * scaleFactor !Missing density because it's cell dependent
self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent
self%l2_i = self%sp_i%m / 2.D0 !Missing temperature because it's cell dependent
self%l2_j = self%sp_j%mass / 2.D0 !Missing temperature because it's cell dependent
self%l2_i = self%sp_i%mass / 2.D0 !Missing temperature because it's cell dependent
END SUBROUTINE initInteractionCoulomb

20
src/modules/moduleInject.f90
View file

@ -179,16 +179,21 @@ MODULE moduleInject
IMPLICIT NONE
INTEGER:: i
INTEGER, DIMENSION(1:nInject):: nMin, nMax
!$OMP SINGLE
nPartInj = 0
DO i = 1, nInject
IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN
nMin(i) = nPartInj + 1
nPartInj = nPartInj + inject(i)%nParticles
nMax(i) = nPartInj
END IF
END DO
PRINT *, nMin
PRINT *, nMax
IF (ALLOCATED(partInj)) DEALLOCATE(partInj)
ALLOCATE(partInj(1:nPartInj))
@ -196,7 +201,7 @@ MODULE moduleInject
DO i=1, nInject
IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN
CALL inject(i)%addParticles()
CALL inject(i)%addParticles(nMin(i), nMax(i))
END IF
END DO
@ -279,8 +284,8 @@ MODULE moduleInject
IMPLICIT NONE
CLASS(injectGeneric), INTENT(in):: self
INTEGER, INTENT(in):: nMin, nMax !Min and Max index in partInj array
INTEGER:: randomX
INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array
INTEGER:: i
INTEGER:: n, sp
CLASS(meshEdge), POINTER:: randomEdge
@ -288,17 +293,6 @@ MODULE moduleInject
!Insert particles
!$OMP SINGLE
nMin = 0
DO i = 1, self%id -1
IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN
nMin = nMin + inject(i)%nParticles
END IF
END DO
nMin = nMin + 1
nMax = nMin + self%nParticles - 1
!Assign weight to particle.
partInj(nMin:nMax)%weight = self%species%weight
!Particle is considered to be outside the domain

74
src/modules/moduleSpecies.f90
View file

@ -4,12 +4,56 @@ MODULE moduleSpecies
USE OMP_LIB
IMPLICIT NONE
!Basic type that defines a macro-particle
TYPE:: particle
REAL(8):: r(1:3) !Position
REAL(8):: v(1:3) !Velocity
CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle
INTEGER:: cell !Index of element in which the particle is located. TODO: Make these pointers
INTEGER:: cellColl !Index of element in which the particle is located in the Collision Mesh
REAL(8):: Xi(1:3) !Logical coordinates of particle in element e_p.
LOGICAL:: n_in !Flag that indicates if a particle is in the domain
REAL(8):: weight=0.D0 !weight of particle
END TYPE particle
!Wrapper to store the particles per species
TYPE:: particleArray
TYPE(particle), ALLOCATABLE, DIMENSION(:):: p
END TYPE particleArray
!Array of pointers for the species to be pushed
TYPE:: particleArray_pointer
TYPE(particle), POINTER, DIMENSION(:):: p
END TYPE particleArray_pointer
!Number of old particles
INTEGER, ALLOCATABLE, DIMENSION(:):: nPartOld
INTEGER:: nPartOldTotal
!Number of injected particles
INTEGER:: nPartInj
!Arrays that contain the particles
TYPE(particle), ALLOCATABLE, TARGET, DIMENSION(:):: partInj !array of inject particles
TYPE(particleArray), ALLOCATABLE, TARGET, DIMENSION(:):: partOld !array of particles from previous iteration
TYPE(particleArray_pointer), ALLOCATABLE, DIMENSION(:):: particlesToPush !particles pushed in each iteration
INTEGER:: nSpeciesToPush
INTEGER, ALLOCATABLE, DIMENSION(:):: nPartOldToPush
!Generic species type
TYPE, ABSTRACT:: speciesGeneric
CHARACTER(:), ALLOCATABLE:: name
REAL(8):: m=0.D0, weight=0.D0, qm=0.D0
INTEGER:: n=0
INTEGER:: n=0 !Index of species
CHARACTER(:), ALLOCATABLE:: name !Name of species
!Mass, default weight of species and charge over mass
REAL(8):: mass=0.D0, weight=0.D0, qm=0.D0
INTEGER:: every !How many interations between advancing the species
LOGICAL:: pushSpecies !Boolean to indicate if the species is moved in the iteration
END TYPE speciesGeneric
!Neutral species
TYPE, EXTENDS(speciesGeneric):: speciesNeutral
CLASS(speciesGeneric), POINTER:: ion => NULL()
CONTAINS
@ -17,6 +61,7 @@ MODULE moduleSpecies
END TYPE speciesNeutral
!Charged species
TYPE, EXTENDS(speciesGeneric):: speciesCharged
REAL(8):: q=0.D0
CLASS(speciesGeneric), POINTER:: ion => NULL(), neutral => NULL()
@ -26,34 +71,17 @@ MODULE moduleSpecies
END TYPE speciesCharged
!Wrapper for species
TYPE:: speciesCont
CLASS(speciesGeneric), ALLOCATABLE:: obj
END TYPE
!Number of species
INTEGER:: nSpecies
!Array for species
TYPE(speciesCont), ALLOCATABLE, TARGET:: species(:)
TYPE particle
REAL(8):: r(1:3) !Position
REAL(8):: v(1:3) !Velocity
CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle
INTEGER:: cell !Index of element in which the particle is located
INTEGER:: cellColl !Index of element in which the particle is located in the Collision Mesh
REAL(8):: Xi(1:3) !Logical coordinates of particle in element e_p.
LOGICAL:: n_in !Flag that indicates if a particle is in the domain
REAL(8):: weight=0.D0 !weight of particle
END TYPE particle
!Number of old particles
INTEGER:: nPartOld
!Number of injected particles
INTEGER:: nPartInj
!Arrays that contain the particles
TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partOld !array of particles from previous iteration
TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partInj !array of inject particles
CONTAINS
FUNCTION speciesName2Index(speciesName) RESULT(sp)
USE moduleErrors

2
src/modules/output/moduleOutput.f90
View file

@ -148,7 +148,7 @@ MODULE moduleOutput
formatValues%density = rawValues%den*tempVol
formatValues%velocity(:) = tempVel
IF (tensorTrace(tensorTemp) > 0.D0) THEN
formatValues%pressure = speciesIn%m*tensorTrace(tensorTemp)*tempVol/3.D0
formatValues%pressure = speciesIn%mass*tensorTrace(tensorTemp)*tempVol/3.D0
formatValues%temperature = formatValues%pressure/(formatValues%density*kb)
END IF

133
src/modules/solver/moduleSolver.f90
View file

@ -3,7 +3,7 @@ MODULE moduleSolver
!Generic type for pusher of particles
TYPE, PUBLIC:: pusherGeneric
PROCEDURE(push_interafece), POINTER, NOPASS:: pushParticle => NULL()
PROCEDURE(push_interface), POINTER, NOPASS:: pushParticle => NULL()
!Boolean to indicate if the species is moved in the iteration
LOGICAL:: pushSpecies
!How many interations between advancing the species
@ -29,13 +29,13 @@ MODULE moduleSolver
INTERFACE
!Push a particle
PURE SUBROUTINE push_interafece(part, tauIn)
PURE SUBROUTINE push_interface(part, tauIn)
USE moduleSpecies
TYPE(particle), INTENT(inout):: part
REAL(8), INTENT(in):: tauIn
END SUBROUTINE push_interafece
END SUBROUTINE push_interface
!Solve the electromagnetic field
SUBROUTINE solveEM_interface()
@ -169,24 +169,75 @@ MODULE moduleSolver
USE moduleMesh
IMPLICIT NONE
INTEGER:: n
INTEGER:: sp
INTEGER:: p
INTEGER:: s, sp
INTEGER:: e
!$OMP DO
DO n = 1, nPartOld
!Select species type
sp = partOld(n)%species%n
!$OMP SINGLE
!Allocate the array of particles to push
nSpeciesToPush = COUNT(solver%pusher(:)%pushSpecies)
ALLOCATE(particlesToPush(1:nSpeciesToPush))
ALLOCATE(nPartOldToPush(1:nSpeciesToPush))
!Point the arrays to the location of the particles
sp = 0
DO s = 1, nSpecies
!Checks if the species sp is update this iteration
IF (solver%pusher(sp)%pushSpecies) THEN
!Push particle
CALL solver%pusher(sp)%pushParticle(partOld(n), tau(sp))
!Find cell in wich particle reside
CALL solver%updateParticleCell(partOld(n))
sp = sp + 1
particlesToPush(sp)%p = partOld(s)%p
nPartOldToPush(sp) = nPartOld(s)
END IF
END DO
!$OMP END DO
!Delete list of particles in cells for collisions if the particle is pushed
IF (listInCells) THEN
DO e = 1, mesh%numCells
DO s = 1, nSpecies
IF (solver%pusher(s)%pushSpecies) THEN
CALL mesh%cells(e)%obj%listPart_in(s)%erase()
mesh%cells(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
END IF
!Erase the list of particles inside the cell in coll mesh if the particle is pushed
IF (doubleMesh) THEN
DO e = 1, meshColl%numCells
DO s = 1, nSpecies
IF (solver%pusher(s)%pushSpecies) THEN
CALL meshColl%cells(e)%obj%listPart_in(s)%erase()
meshColl%cells(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
END IF
!$OMP END SINGLE
!Now, push particles
!$OMP DO
DO sp = 1, nSpeciesToPush
DO p = 1, nPartOldToPush(sp)
!Push particle
CALL solver%pusher(sp)%pushParticle(particlesToPush(sp)%p(p), tau(sp))
!Find cell in which particle reside
CALL solver%updateParticleCell(particlesToPush(sp)%p(p))
END DO
END DO
!$END OMP DO
END SUBROUTINE doPushes
@ -247,7 +298,10 @@ MODULE moduleSolver
!$OMP SECTION
nOldIn = 0
IF (ALLOCATED(partOld)) THEN
nOldIn = COUNT(partOld%n_in)
DO s = 1, nSpecies
nOldIn = nOldin + COUNT(partOld(s)%p(:)%n_in)
END DO
END IF
!$OMP SECTION
@ -324,40 +378,6 @@ MODULE moduleSolver
END DO
!$OMP SECTION
!Erase the list of particles inside the cell if particles have been pushed
IF (listInCells) THEN
DO s = 1, nSpecies
DO e = 1, mesh%numCells
IF (solver%pusher(s)%pushSpecies) THEN
CALL mesh%cells(e)%obj%listPart_in(s)%erase()
mesh%cells(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
END IF
!$OMP SECTION
!Erase the list of particles inside the cell in coll mesh
IF (doubleMesh) THEN
DO s = 1, nSpecies
DO e = 1, meshColl%numCells
IF (solver%pusher(s)%pushSpecies) THEN
CALL meshColl%cells(e)%obj%listPart_in(s)%erase()
meshColl%cells(e)%obj%totalWeight(s) = 0.D0
END IF
END DO
END DO
END IF
!$OMP END SECTIONS
!$OMP SINGLE
@ -372,14 +392,17 @@ MODULE moduleSolver
USE moduleMesh
IMPLICIT NONE
INTEGER:: n
INTEGER:: n, sp
CLASS(meshCell), POINTER:: cell
!Loops over the particles to scatter them
!$OMP DO
DO n = 1, nPartOld
cell => mesh%cells(partOld(n)%cell)%obj
CALL cell%scatter(cell%nNodes, partOld(n))
DO sp = 1, nSpeciesToPush
DO n = 1, nPartOldToPush(sp)
cell => mesh%cells(particlesToPush(sp)%p(n)%cell)%obj
CALL cell%scatter(cell%nNodes, particlesToPush(sp)%p(n))
END DO
END DO
!$OMP END DO
@ -549,8 +572,8 @@ MODULE moduleSolver
END IF
IF (nPartOld > 0) THEN
WRITE(*, "(5X,A21,F8.1,A2)") "avg t/particle: ", 1.D9*tStep/DBLE(nPartOld), "ns"
IF (nPartOldTotal > 0) THEN
WRITE(*, "(5X,A21,F8.1,A2)") "avg t/particle: ", 1.D9*tStep/DBLE(nPartOldTotal), "ns"
END IF
WRITE(*,*)

2
src/modules/solver/pusher/modulePusher.f90
View file

@ -14,7 +14,7 @@ MODULE modulePusher
END SUBROUTINE pushCartNeutral
PURE SUBROUTINE pushCartElectrostatic(part, tauIn)
USE moduleSPecies
USE moduleSpecies
USE moduleMesh
IMPLICIT NONE