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Number of collisions per collision pair

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Now the number of collisions is calculated per species pair. This allows
that the randomly particles selected for collisions do not have
collisions assigned.
This commit is contained in:
Jorge Gonzalez 2022-04-23 19:00:33 +02:00
commit 4e9514876e
10 changed files with 111 additions and 46 deletions
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4
src/modules/mesh/0D/moduleMesh0D.f90
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@ -63,6 +63,7 @@ MODULE moduleMesh0D
!Inits dummy 0D volume
SUBROUTINE initVol0D(self, n, p, nodes)
USE moduleRefParam
USE moduleSpecies
IMPLICIT NONE
CLASS(meshVol0D), INTENT(out):: self
@ -80,6 +81,9 @@ MODULE moduleMesh0D
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVol0D
PURE FUNCTION getNodes0D(self) RESULT(n)

3
src/modules/mesh/1DCart/moduleMesh1DCart.f90
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@ -220,6 +220,9 @@ MODULE moduleMesh1DCart
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVol1DCartSegm
!Calculates a random position in 1D volume

3
src/modules/mesh/1DRad/moduleMesh1DRad.f90
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@ -222,6 +222,9 @@ MODULE moduleMesh1DRad
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVol1DRadSegm
!Calculates a random position in 1D volume

6
src/modules/mesh/2DCart/moduleMesh2DCart.f90
View file

@ -311,6 +311,9 @@ MODULE moduleMesh2DCart
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVolQuad2DCart
!Computes element area
@ -638,6 +641,9 @@ MODULE moduleMesh2DCart
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVolTria2DCart
!Random position in quadrilateral volume

6
src/modules/mesh/2DCyl/moduleMesh2DCyl.f90
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@ -299,6 +299,9 @@ MODULE moduleMesh2DCyl
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVolQuad2DCyl
!Computes element area
@ -659,6 +662,9 @@ MODULE moduleMesh2DCyl
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVolTria2DCyl
!Random position in quadrilateral volume

3
src/modules/mesh/3DCart/moduleMesh3DCart.f90
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@ -285,6 +285,9 @@ MODULE moduleMesh3DCart
CALL OMP_INIT_LOCK(self%lock)
ALLOCATE(self%listPart_in(1:nSpecies))
ALLOCATE(self%totalWeight(1:nSpecies))
END SUBROUTINE initVolTetra3DCart
!Random position in volume tetrahedron

104
src/modules/mesh/moduleMesh.f90
View file

@ -152,13 +152,13 @@ MODULE moduleMesh
!Volume
REAL(8):: volume = 0.D0
!List of particles inside the volume
TYPE(listNode):: listPart_in
TYPE(listNode), ALLOCATABLE:: listPart_in(:)
!Lock indicator for listPart_in
INTEGER(KIND=OMP_LOCK_KIND):: lock
!Number of collisions per volume
INTEGER:: nColl = 0
!Total weight of particles inside cell
REAL(8):: totalWeight = 0.D0
REAL(8), ALLOCATABLE:: totalWeight(:)
CONTAINS
PROCEDURE(initVol_interface), DEFERRED, PASS:: init
PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes
@ -516,6 +516,7 @@ MODULE moduleMesh
CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell
REAL(8):: xi(1:3)
CLASS(meshElement), POINTER:: nextElement
INTEGER:: sp
xi = self%phy2log(part%r)
!Checks if particle is inside 'self' cell
@ -525,8 +526,9 @@ MODULE moduleMesh
part%n_in = .TRUE.
!Assign particle to listPart_in
CALL OMP_SET_LOCK(self%lock)
CALL self%listPart_in%add(part)
self%totalWeight = self%totalWeight + part%weight
sp = part%species%n
CALL self%listPart_in(sp)%add(part)
self%totalWeight(sp) = self%totalWeight(sp) + part%weight
CALL OMP_UNSET_LOCK(self%lock)
ELSE
@ -586,6 +588,7 @@ MODULE moduleMesh
CLASS(meshVol), POINTER:: vol
REAL(8), DIMENSION(1:3):: xii
CLASS(meshElement), POINTER:: nextElement
INTEGER:: sp
found = .FALSE.
@ -595,8 +598,9 @@ MODULE moduleMesh
IF (vol%inside(xii)) THEN
part%volColl = vol%n
CALL OMP_SET_LOCK(vol%lock)
CALL vol%listPart_in%add(part)
vol%totalWeight = vol%totalWeight + part%weight
sp = part%species%n
CALL vol%listPart_in(sp)%add(part)
vol%totalWeight(sp) = vol%totalWeight(sp) + part%weight
CALL OMP_UNSET_LOCK(vol%lock)
found = .TRUE.
@ -660,61 +664,83 @@ MODULE moduleMesh
INTEGER, INTENT(in):: t
INTEGER:: e
CLASS(meshVol), POINTER:: vol
INTEGER:: nPart !Number of particles inside the cell
INTEGER:: k, nPairs, i, j
INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell
REAL(8):: pMax !Maximum probability of collision
TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:)
INTEGER:: rnd !random index
TYPE(particle), POINTER:: part_i, part_j
INTEGER:: n !collision
INTEGER:: ij, k
INTEGER:: n, c
REAL(8):: sigmaVrelMaxNew
TYPE(pointerArray), ALLOCATABLE:: partTemp(:)
IF (MOD(t, everyColl) == 0) THEN
!Collisions need to be performed in this iteration
!$OMP DO SCHEDULE(DYNAMIC)
DO e=1, self%numVols
vol => self%vols(e)%obj
nPart = vol%listPart_in%amount
!Resets the number of collisions
vol%nColl = 0
!TODO: Simplify this, to many sublevels
!Iterate over the number of pairs
nPairs = SIZE(interactionMatrix) !TODO: This does not change, make a variable in a module
DO k = 1, nPairs
IF (interactionMatrix(k)%amount > 0) THEN
!Select the species for the collision pair
i = interactionMatrix(k)%sp_i%n
j = interactionMatrix(k)%sp_j%n
!Calculates number of collisions if there is more than one particle in the cell
IF (nPart > 1) THEN
!Probability of collision
pMax = vol%totalWeight*vol%sigmaVrelMax*tauColl/vol%volume
!Number of particles per species in the collision pair
nPart_i = vol%listPart_in(i)%amount
nPart_j = vol%listPart_in(j)%amount
!Number of collisions in the cell
vol%nColl = NINT(REAL(nPart)*pMax*0.5D0)
IF (nPart_i > 0 .AND. nPart_j > 0) THEN
!Total number of particles for the collision pair
nPart = nPart_i + nPart_j
IF (vol%nColl > 0) THEN
!Converts the list of particles to an array for easy access
partTemp = vol%listPart_in%convert2Array()
!Resets the number of collisions in the cell
vol%nColl = 0
END IF
!Probability of collision for pair i-j
pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume
DO n = 1, vol%nColl
!Select random numbers
rnd = random(1, nPart)
part_i => partTemp(rnd)%part
rnd = random(1, nPart)
part_j => partTemp(rnd)%part
ij = interactionIndex(part_i%species%n, part_j%species%n)
sigmaVrelMaxNew = 0.D0
DO k = 1, interactionMatrix(ij)%amount
CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j)
!Number of collisions in the cell
vol%nColl = NINT(REAL(nPart)*pMax*0.5D0)
END DO
!Converts the list of particles to an array for easy access
IF (vol%nColl > 0) THEN
partTemp_i = vol%listPart_in(i)%convert2Array()
partTemp_j = vol%listPart_in(j)%convert2Array()
!Update maximum cross section*v_rel per each collision
IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN
vol%sigmaVrelMax = sigmaVrelMaxNew
END IF
!Do collisions
DO n = 1, vol%nColl
!Select random particles
rnd = random(1, nPart_i)
part_i => partTemp_i(rnd)%part
rnd = random(1, nPart_j)
part_j => partTemp_j(rnd)%part
!Check all possible collisions in the pair
!TODO: Stop when collision occurs (and count it)
sigmaVrelMaxNew = 0.D0
DO c = 1, interactionMatrix(k)%amount
CALL interactionMatrix(k)%collisions(c)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j)
END DO
!Update maximum cross section*v_rel per each collision
IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN
vol%sigmaVrelMax = sigmaVrelMaxNew
END IF
END DO
END IF
END DO
END IF
END IF
END DO
END DO
!$OMP END DO

8
src/modules/moduleCollisions.f90
View file

@ -70,6 +70,8 @@ MODULE moduleCollisions
!Type for interaction matrix
TYPE:: interactionsBinary
CLASS(speciesGeneric), POINTER:: sp_i
CLASS(speciesGeneric), POINTER:: sp_j
INTEGER:: amount
TYPE(collisionCont), ALLOCATABLE:: collisions(:)
CONTAINS
@ -139,11 +141,15 @@ MODULE moduleCollisions
END FUNCTION interactionIndex
!Inits the binary interaction
SUBROUTINE initInteractionBinary(self, amount)
SUBROUTINE initInteractionBinary(self, amount, i, j)
IMPLICIT NONE
CLASS(interactionsBinary), INTENT(inout):: self
INTEGER, INTENT(in):: amount
INTEGER, INTENT(in):: i, j
self%sp_i => species(i)%obj
self%sp_j => species(j)%obj
self%amount = amount

2
src/modules/moduleInput.f90
View file

@ -685,7 +685,7 @@ MODULE moduleInput
CALL config%info(object // '.cTypes', found, n_children = nCollisions)
ij = interactionIndex(pt_i,pt_j)
!Allocates the required number of collisions per each pair of species ij
CALL interactionMatrix(ij)%init(nCollisions)
CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j)
DO k = 1, nCollisions
WRITE (kString, '(I2)') k

18
src/modules/moduleSolver.f90
View file

@ -243,8 +243,6 @@ MODULE moduleSolver
v_prime = v_minus + fn * crossProduct(v_minus, B)
v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B)
PRINT *, v_minus, v_plus
END IF
!Half step for electrostatic
@ -459,6 +457,7 @@ MODULE moduleSolver
INTEGER, SAVE:: nPartNew
INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions, nSurfaces
TYPE(particle), ALLOCATABLE, SAVE:: partTemp(:)
INTEGER:: s
!$OMP SECTIONS
!$OMP SECTION
@ -545,7 +544,10 @@ MODULE moduleSolver
!Erase the list of particles inside the cell
DO e = 1, mesh%numVols
mesh%vols(e)%obj%totalWeight = 0.D0
CALL mesh%vols(e)%obj%listPart_in%erase()
DO s = 1, nSpecies
CALL mesh%vols(e)%obj%listPart_in(s)%erase()
END DO
END DO
@ -553,7 +555,10 @@ MODULE moduleSolver
!Erase the list of particles inside the cell in coll mesh
DO e = 1, meshColl%numVols
meshColl%vols(e)%obj%totalWeight = 0.D0
CALL meshColl%vols(e)%obj%listPart_in%erase()
DO s = 1, nSpecies
CALL meshColl%vols(e)%obj%listPart_in(s)%erase()
END DO
END DO
@ -687,6 +692,7 @@ MODULE moduleSolver
REAL(8):: newWeight
TYPE(particle), POINTER:: newPart
INTEGER:: p
INTEGER:: sp
newWeight = part%weight / nSplit
@ -699,12 +705,14 @@ MODULE moduleSolver
ALLOCATE(newPart)
!Copy data from original particle
newPart = part
!Add particle to list of new particles from weighting scheme
CALL OMP_SET_LOCK(lockWScheme)
CALL partWScheme%add(newPart)
CALL OMP_UNSET_LOCK(lockWScheme)
!Add particle to cell list
CALL OMP_SET_lock(vol%lock)
CALL vol%listPart_in%add(newPart)
sp = part%species%n
CALL vol%listPart_in(sp)%add(newPart)
CALL OMP_UNSET_lock(vol%lock)
END DO