forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -14,7 +14,6 @@
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#include "stdlib.h"
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#include "atom_vec_dpd.h"
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#include "atom.h"
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#include "domain.h"
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#include "modify.h"
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#include "fix.h"
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#include "memory.h"
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@ -58,12 +57,13 @@ void AtomVecDPD::zero_ghost(int n, int first)
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/* ---------------------------------------------------------------------- */
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int AtomVecDPD::pack_comm(int n, int *list, double *buf, int *pbc_flags)
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int AtomVecDPD::pack_comm(int n, int *list, double *buf,
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int pbc_flag, double *pbc_dist)
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{
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int i,j,m;
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m = 0;
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if (pbc_flags[0] == 0) {
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if (pbc_flag == 0) {
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for (i = 0; i < n; i++) {
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j = list[i];
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buf[m++] = x[j][0];
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@ -74,14 +74,11 @@ int AtomVecDPD::pack_comm(int n, int *list, double *buf, int *pbc_flags)
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buf[m++] = v[j][2];
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}
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} else {
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double xprd = domain->xprd;
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double yprd = domain->yprd;
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double zprd = domain->zprd;
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for (i = 0; i < n; i++) {
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j = list[i];
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buf[m++] = x[j][0] + pbc_flags[1]*xprd;
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buf[m++] = x[j][1] + pbc_flags[2]*yprd;
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buf[m++] = x[j][2] + pbc_flags[3]*zprd;
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buf[m++] = x[j][0] + pbc_dist[0];
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buf[m++] = x[j][1] + pbc_dist[1];
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buf[m++] = x[j][2] + pbc_dist[2];
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buf[m++] = v[j][0];
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buf[m++] = v[j][1];
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buf[m++] = v[j][2];
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@ -130,12 +127,13 @@ int AtomVecDPD::unpack_comm_one(int i, double *buf)
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/* ---------------------------------------------------------------------- */
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int AtomVecDPD::pack_border(int n, int *list, double *buf, int *pbc_flags)
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int AtomVecDPD::pack_border(int n, int *list, double *buf,
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int pbc_flag, double *pbc_dist)
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{
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int i,j,m;
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m = 0;
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if (pbc_flags[0] == 0) {
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if (pbc_flag == 0) {
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for (i = 0; i < n; i++) {
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j = list[i];
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buf[m++] = x[j][0];
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@ -149,14 +147,11 @@ int AtomVecDPD::pack_border(int n, int *list, double *buf, int *pbc_flags)
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buf[m++] = v[j][2];
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}
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} else {
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double xprd = domain->xprd;
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double yprd = domain->yprd;
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double zprd = domain->zprd;
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for (i = 0; i < n; i++) {
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j = list[i];
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buf[m++] = x[j][0] + pbc_flags[1]*xprd;
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buf[m++] = x[j][1] + pbc_flags[2]*yprd;
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buf[m++] = x[j][2] + pbc_flags[3]*zprd;
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buf[m++] = x[j][0] + pbc_dist[0];
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buf[m++] = x[j][1] + pbc_dist[1];
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buf[m++] = x[j][2] + pbc_dist[2];
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buf[m++] = tag[j];
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buf[m++] = type[j];
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buf[m++] = mask[j];
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@ -22,11 +22,11 @@ class AtomVecDPD : public AtomVecAtomic {
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public:
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AtomVecDPD(class LAMMPS *, int, char **);
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void zero_ghost(int, int);
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int pack_comm(int, int *, double *, int *);
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int pack_comm(int, int *, double *, int, double *);
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int pack_comm_one(int, double *);
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void unpack_comm(int, int, double *);
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int unpack_comm_one(int, double *);
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int pack_border(int, int *, double *, int *);
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int pack_border(int, int *, double *, int, double *);
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int pack_border_one(int, double *);
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void unpack_border(int, int, double *);
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int unpack_border_one(int, double *);
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