Number of collisions per collision pair

Now the number of collisions is calculated per species pair. This allows
that the randomly particles selected for collisions do not have
collisions assigned.

src/modules/mesh/0D/moduleMesh0D.f90

@@ -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)

src/modules/mesh/1DCart/moduleMesh1DCart.f90

@@ -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

src/modules/mesh/1DRad/moduleMesh1DRad.f90

@@ -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

src/modules/mesh/2DCart/moduleMesh2DCart.f90

@@ -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

src/modules/mesh/2DCyl/moduleMesh2DCyl.f90

@@ -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

src/modules/mesh/3DCart/moduleMesh3DCart.f90

@@ -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

src/modules/mesh/moduleMesh.f90

@@ -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)
+        sp = part%species%n
-        self%totalWeight = self%totalWeight + part%weight
+        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)
+          sp = part%species%n
-          vol%totalWeight = vol%totalWeight + part%weight
+          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:: n, c
-      INTEGER:: ij, k
       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
+          !TODO: Simplify this, to many sublevels
-          vol%nColl = 0
+          !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
+              !Number of particles per species in the collision pair
-          IF (nPart > 1) THEN
+              nPart_i = vol%listPart_in(i)%amount
-            !Probability of collision
+              nPart_j = vol%listPart_in(j)%amount
-            pMax = vol%totalWeight*vol%sigmaVrelMax*tauColl/vol%volume
 
-            !Number of collisions in the cell
+              IF (nPart_i > 0 .AND. nPart_j > 0) THEN
-            vol%nColl = NINT(REAL(nPart)*pMax*0.5D0)
+                !Total number of particles for the collision pair
+                nPart = nPart_i + nPart_j
 
-            IF (vol%nColl > 0) THEN
+                !Resets the number of collisions in the cell
-              !Converts the list of particles to an array for easy access
+                vol%nColl = 0
-              partTemp = vol%listPart_in%convert2Array()
 
-            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
+                !Number of collisions in the cell
-              !Select random numbers
+                vol%nColl = NINT(REAL(nPart)*pMax*0.5D0)
-              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)
 
-              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
+                END IF
-              IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN
+
-                vol%sigmaVrelMax = sigmaVrelMaxNew
+                !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

src/modules/moduleCollisions.f90

@@ -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
 

src/modules/moduleInput.f90

@@ -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

src/modules/moduleSolver.f90

@@ -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