silence compiler warnings by avoiding to shadow variables
This commit is contained in:
@ -241,7 +241,7 @@ struct remap_plan_3d *remap_3d_create_plan(
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struct remap_plan_3d *plan;
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struct remap_plan_3d *plan;
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struct extent_3d *inarray, *outarray;
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struct extent_3d *inarray, *outarray;
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struct extent_3d in,out,overlap;
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struct extent_3d in,out,overlap;
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int i,iproc,nsend,nrecv,ibuf,size,me,nprocs;
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int i,j,iproc,nsend,nrecv,ibuf,size,me,nprocs;
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// query MPI info
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// query MPI info
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@ -465,14 +465,14 @@ struct remap_plan_3d *remap_3d_create_plan(
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int *commringlist = (int *) malloc(maxcommsize*sizeof(int));
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int *commringlist = (int *) malloc(maxcommsize*sizeof(int));
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int commringlen = 0;
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int commringlen = 0;
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for (int i = 0; i < nrecv; i++) {
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for (i = 0; i < nrecv; i++) {
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commringlist[i] = plan->recv_proc[i];
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commringlist[i] = plan->recv_proc[i];
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commringlen++;
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commringlen++;
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}
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}
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for (int i = 0; i < nsend; i++) {
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for (i = 0; i < nsend; i++) {
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int foundentry = 0;
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int foundentry = 0;
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for (int j=0;j<commringlen;j++)
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for (j = 0; j < commringlen;j++)
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if (commringlist[j] == plan->send_proc[i]) foundentry = 1;
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if (commringlist[j] == plan->send_proc[i]) foundentry = 1;
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if (!foundentry) {
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if (!foundentry) {
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commringlist[commringlen] = plan->send_proc[i];
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commringlist[commringlen] = plan->send_proc[i];
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@ -483,12 +483,12 @@ struct remap_plan_3d *remap_3d_create_plan(
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// sort initial commringlist
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// sort initial commringlist
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int swap = 0;
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int swap = 0;
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for (int c = 0 ; c < (commringlen - 1); c++) {
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for (i = 0 ; i < (commringlen - 1); i++) {
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for (int d = 0 ; d < commringlen - c - 1; d++) {
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for (j = 0 ; j < commringlen - i - 1; j++) {
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if (commringlist[d] > commringlist[d+1]) {
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if (commringlist[j] > commringlist[j+1]) {
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swap = commringlist[d];
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swap = commringlist[j];
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commringlist[d] = commringlist[d+1];
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commringlist[j] = commringlist[j+1];
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commringlist[d+1] = swap;
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commringlist[j+1] = swap;
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}
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}
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}
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}
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}
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}
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@ -502,12 +502,12 @@ struct remap_plan_3d *remap_3d_create_plan(
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while (commringappend) {
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while (commringappend) {
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int newcommringlen = commringlen;
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int newcommringlen = commringlen;
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commringappend = 0;
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commringappend = 0;
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for (int i=0;i<commringlen;i++) {
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for (i = 0; i < commringlen; i++) {
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for (int j=0;j<nprocs;j++) {
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for (j = 0; j < nprocs; j++) {
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if (remap_3d_collide(&inarray[commringlist[i]],
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if (remap_3d_collide(&inarray[commringlist[i]],
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&outarray[j],&overlap)) {
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&outarray[j],&overlap)) {
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int alreadyinlist = 0;
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int alreadyinlist = 0;
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for (int k=0;k<newcommringlen;k++) {
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for (int k = 0; k < newcommringlen; k++) {
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if (commringlist[k] == j) {
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if (commringlist[k] == j) {
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alreadyinlist = 1;
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alreadyinlist = 1;
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}
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}
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@ -520,7 +520,7 @@ struct remap_plan_3d *remap_3d_create_plan(
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if (remap_3d_collide(&outarray[commringlist[i]],
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if (remap_3d_collide(&outarray[commringlist[i]],
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&inarray[j],&overlap)) {
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&inarray[j],&overlap)) {
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int alreadyinlist = 0;
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int alreadyinlist = 0;
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for (int k=0;k<newcommringlen;k++) {
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for (int k = 0 ; k < newcommringlen; k++) {
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if (commringlist[k] == j) alreadyinlist = 1;
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if (commringlist[k] == j) alreadyinlist = 1;
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}
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}
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if (!alreadyinlist) {
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if (!alreadyinlist) {
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@ -535,12 +535,12 @@ struct remap_plan_3d *remap_3d_create_plan(
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// sort the final commringlist
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// sort the final commringlist
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for (int c = 0 ; c < ( commringlen - 1 ); c++) {
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for (i = 0 ; i < ( commringlen - 1 ); i++) {
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for (int d = 0 ; d < commringlen - c - 1; d++) {
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for (j = 0 ; j < commringlen - i - 1; j++) {
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if (commringlist[d] > commringlist[d+1]) {
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if (commringlist[j] > commringlist[j+1]) {
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swap = commringlist[d];
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swap = commringlist[j];
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commringlist[d] = commringlist[d+1];
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commringlist[j] = commringlist[j+1];
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commringlist[d+1] = swap;
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commringlist[j+1] = swap;
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}
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}
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}
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}
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}
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}
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@ -1028,7 +1028,7 @@ std::pair<std::string, std::string> EIMPotentialFileReader::get_pair(const std::
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return std::make_pair(b, a);
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return std::make_pair(b, a);
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}
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}
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char * EIMPotentialFileReader::next_line(FILE * fp) {
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char *EIMPotentialFileReader::next_line(FILE * fp) {
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// concatenate lines if they end with '&'
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// concatenate lines if they end with '&'
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// strip comments after '#'
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// strip comments after '#'
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int n = 0;
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int n = 0;
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@ -1058,7 +1058,7 @@ char * EIMPotentialFileReader::next_line(FILE * fp) {
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}
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}
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while (n == 0 || concat) {
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while (n == 0 || concat) {
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char *ptr = fgets(&line[n], MAXLINE - n, fp);
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ptr = fgets(&line[n], MAXLINE - n, fp);
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if (ptr == nullptr) {
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if (ptr == nullptr) {
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// EOF
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// EOF
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@ -1089,7 +1089,7 @@ char * EIMPotentialFileReader::next_line(FILE * fp) {
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void EIMPotentialFileReader::parse(FILE * fp)
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void EIMPotentialFileReader::parse(FILE * fp)
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{
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{
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char * line = nullptr;
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char *line = nullptr;
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bool found_global = false;
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bool found_global = false;
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while ((line = next_line(fp))) {
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while ((line = next_line(fp))) {
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@ -329,7 +329,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
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pstyle = ANISO;
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pstyle = ANISO;
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dimension = domain->dimension;
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dimension = domain->dimension;
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for (int i = 0; i < 3; i++) {
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for (i = 0; i < 3; i++) {
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p_start[i] = p_stop[i] = p_period[i] = 0.0;
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p_start[i] = p_stop[i] = p_period[i] = 0.0;
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p_flag[i] = 0;
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p_flag[i] = 0;
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}
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}
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@ -551,7 +551,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
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// set pstat_flag
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// set pstat_flag
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pstat_flag = 0;
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pstat_flag = 0;
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for (int i = 0; i < 3; i++)
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for (i = 0; i < 3; i++)
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if (p_flag[i]) pstat_flag = 1;
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if (p_flag[i]) pstat_flag = 1;
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if (pcouple == XYZ || (dimension == 2 && pcouple == XY)) pstyle = ISO;
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if (pcouple == XYZ || (dimension == 2 && pcouple == XY)) pstyle = ISO;
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@ -705,7 +705,7 @@ void FixRigidNHSmall::final_integrate()
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if (pstat_flag) {
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if (pstat_flag) {
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akin_t = akin_r = 0.0;
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akin_t = akin_r = 0.0;
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for (int ibody = 0; ibody < nlocal_body; ibody++) {
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for (ibody = 0; ibody < nlocal_body; ibody++) {
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Body *b = &body[ibody];
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Body *b = &body[ibody];
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akin_t += b->mass*(b->vcm[0]*b->vcm[0] + b->vcm[1]*b->vcm[1] +
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akin_t += b->mass*(b->vcm[0]*b->vcm[0] + b->vcm[1]*b->vcm[1] +
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b->vcm[2]*b->vcm[2]);
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b->vcm[2]*b->vcm[2]);
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@ -856,7 +856,7 @@ void FixRigidNHSmall::nhc_press_integrate()
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double tb_mass = kt / (p_freq_max * p_freq_max);
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double tb_mass = kt / (p_freq_max * p_freq_max);
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q_b[0] = dimension * dimension * tb_mass;
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q_b[0] = dimension * dimension * tb_mass;
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for (int i = 1; i < p_chain; i++) {
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for (i = 1; i < p_chain; i++) {
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q_b[i] = tb_mass;
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q_b[i] = tb_mass;
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f_eta_b[i] = q_b[i-1] * eta_dot_b[i-1] * eta_dot_b[i-1] - kt;
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f_eta_b[i] = q_b[i-1] * eta_dot_b[i-1] * eta_dot_b[i-1] - kt;
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f_eta_b[i] /= q_b[i];
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f_eta_b[i] /= q_b[i];
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@ -941,7 +941,7 @@ double FixRigidNHSmall::compute_scalar()
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ke_t = 0.0;
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ke_t = 0.0;
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ke_q = 0.0;
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ke_q = 0.0;
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for (int i = 0; i < nlocal_body; i++) {
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for (i = 0; i < nlocal_body; i++) {
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vcm = body[i].vcm;
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vcm = body[i].vcm;
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quat = body[i].quat;
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quat = body[i].quat;
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ke_t += body[i].mass * (vcm[0]*vcm[0] + vcm[1]*vcm[1] +
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ke_t += body[i].mass * (vcm[0]*vcm[0] + vcm[1]*vcm[1] +
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@ -192,7 +192,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
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pcouple = NONE;
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pcouple = NONE;
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pstyle = ANISO;
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pstyle = ANISO;
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for (int i = 0; i < 3; i++) {
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for (i = 0; i < 3; i++) {
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p_start[i] = p_stop[i] = p_period[i] = 0.0;
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p_start[i] = p_stop[i] = p_period[i] = 0.0;
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p_flag[i] = 0;
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p_flag[i] = 0;
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}
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}
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@ -367,7 +367,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
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// error check and further setup for Molecule template
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// error check and further setup for Molecule template
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if (onemols) {
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if (onemols) {
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for (int i = 0; i < nmol; i++) {
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for (i = 0; i < nmol; i++) {
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if (onemols[i]->xflag == 0)
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if (onemols[i]->xflag == 0)
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error->all(FLERR,"Fix rigid/small molecule must have coordinates");
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error->all(FLERR,"Fix rigid/small molecule must have coordinates");
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if (onemols[i]->typeflag == 0)
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if (onemols[i]->typeflag == 0)
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@ -385,7 +385,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
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// set pstat_flag
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// set pstat_flag
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pstat_flag = 0;
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pstat_flag = 0;
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for (int i = 0; i < 3; i++)
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for (i = 0; i < 3; i++)
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if (p_flag[i]) pstat_flag = 1;
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if (p_flag[i]) pstat_flag = 1;
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if (pcouple == XYZ || (domain->dimension == 2 && pcouple == XY)) pstyle = ISO;
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if (pcouple == XYZ || (domain->dimension == 2 && pcouple == XY)) pstyle = ISO;
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@ -451,7 +451,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) :
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int one = 0;
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int one = 0;
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bigint atomone = 0;
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bigint atomone = 0;
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for (int i = 0; i < nlocal; i++) {
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for (i = 0; i < nlocal; i++) {
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if (bodyown[i] >= 0) one++;
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if (bodyown[i] >= 0) one++;
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if (bodytag[i] > 0) atomone++;
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if (bodytag[i] > 0) atomone++;
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}
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}
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@ -978,7 +978,7 @@ void FixRigidSmall::compute_forces_and_torques()
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// include Langevin thermostat forces and torques
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// include Langevin thermostat forces and torques
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if (langflag) {
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if (langflag) {
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for (int ibody = 0; ibody < nlocal_body; ibody++) {
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for (ibody = 0; ibody < nlocal_body; ibody++) {
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fcm = body[ibody].fcm;
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fcm = body[ibody].fcm;
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fcm[0] += langextra[ibody][0];
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fcm[0] += langextra[ibody][0];
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fcm[1] += langextra[ibody][1];
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fcm[1] += langextra[ibody][1];
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@ -1163,7 +1163,7 @@ int FixRigidSmall::dof(int tgroup)
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// 2 = # of particles in rigid body, disregarding temperature group
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// 2 = # of particles in rigid body, disregarding temperature group
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memory->create(counts,nlocal_body+nghost_body,3,"rigid/small:counts");
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memory->create(counts,nlocal_body+nghost_body,3,"rigid/small:counts");
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for (int i = 0; i < nlocal_body+nghost_body; i++)
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for (i = 0; i < nlocal_body+nghost_body; i++)
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counts[i][0] = counts[i][1] = counts[i][2] = 0;
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counts[i][0] = counts[i][1] = counts[i][2] = 0;
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// tally counts from my owned atoms
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// tally counts from my owned atoms
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@ -1630,7 +1630,7 @@ void FixRigidSmall::create_bodies(tagint *bodyID)
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MPI_Allreduce(&rsqfar,&maxextent,1,MPI_DOUBLE,MPI_MAX,world);
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MPI_Allreduce(&rsqfar,&maxextent,1,MPI_DOUBLE,MPI_MAX,world);
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maxextent = sqrt(maxextent);
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maxextent = sqrt(maxextent);
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if (onemols) {
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if (onemols) {
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for (int i = 0; i < nmol; i++)
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for (i = 0; i < nmol; i++)
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maxextent = MAX(maxextent,onemols[i]->maxextent);
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maxextent = MAX(maxextent,onemols[i]->maxextent);
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}
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}
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}
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}
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@ -1741,7 +1741,7 @@ int FixRigidSmall::rendezvous_body(int n, char *inbuf,
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double rsqfar = 0.0;
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double rsqfar = 0.0;
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for (int i = 0; i < n; i++) {
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for (i = 0; i < n; i++) {
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m = hash.find(in[i].bodyID)->second;
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m = hash.find(in[i].bodyID)->second;
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xown = in[iclose[m]].x;
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xown = in[iclose[m]].x;
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x = in[i].x;
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x = in[i].x;
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@ -1761,7 +1761,7 @@ int FixRigidSmall::rendezvous_body(int n, char *inbuf,
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OutRvous *out = (OutRvous *)
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OutRvous *out = (OutRvous *)
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memory->smalloc(nout*sizeof(OutRvous),"rigid/small:out");
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memory->smalloc(nout*sizeof(OutRvous),"rigid/small:out");
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for (int i = 0; i < nout; i++) {
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for (i = 0; i < nout; i++) {
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proclist[i] = in[i].me;
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proclist[i] = in[i].me;
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out[i].ilocal = in[i].ilocal;
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out[i].ilocal = in[i].ilocal;
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m = hash.find(in[i].bodyID)->second;
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m = hash.find(in[i].bodyID)->second;
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@ -2493,7 +2493,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody)
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// for which = 0, store all but inertia directly in body struct
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// for which = 0, store all but inertia directly in body struct
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// for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt
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// for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt
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for (int i = 0; i < nchunk; i++) {
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for (i = 0; i < nchunk; i++) {
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next = strchr(buf,'\n');
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next = strchr(buf,'\n');
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values[0] = strtok(buf," \t\n\r\f");
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values[0] = strtok(buf," \t\n\r\f");
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@ -234,8 +234,6 @@ void FixRigidNHOMP::initial_integrate(int vflag)
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void FixRigidNHOMP::compute_forces_and_torques()
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void FixRigidNHOMP::compute_forces_and_torques()
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{
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{
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int ibody;
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double * const * _noalias const x = atom->x;
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double * const * _noalias const x = atom->x;
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const dbl3_t * _noalias const f = (dbl3_t *) atom->f[0];
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const dbl3_t * _noalias const f = (dbl3_t *) atom->f[0];
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const double * const * const torque_one = atom->torque;
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const double * const * const torque_one = atom->torque;
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@ -373,9 +371,9 @@ void FixRigidNHOMP::compute_forces_and_torques()
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MPI_Allreduce(sum[0],all[0],6*nbody,MPI_DOUBLE,MPI_SUM,world);
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MPI_Allreduce(sum[0],all[0],6*nbody,MPI_DOUBLE,MPI_SUM,world);
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#if defined(_OPENMP)
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#if defined(_OPENMP)
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#pragma omp parallel for LMP_DEFAULT_NONE private(ibody) schedule(static)
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#pragma omp parallel for LMP_DEFAULT_NONE schedule(static)
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#endif
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#endif
|
||||||
for (ibody = 0; ibody < nbody; ibody++) {
|
for (int ibody = 0; ibody < nbody; ibody++) {
|
||||||
fcm[ibody][0] = all[ibody][0] + langextra[ibody][0];
|
fcm[ibody][0] = all[ibody][0] + langextra[ibody][0];
|
||||||
fcm[ibody][1] = all[ibody][1] + langextra[ibody][1];
|
fcm[ibody][1] = all[ibody][1] + langextra[ibody][1];
|
||||||
fcm[ibody][2] = all[ibody][2] + langextra[ibody][2];
|
fcm[ibody][2] = all[ibody][2] + langextra[ibody][2];
|
||||||
@ -388,9 +386,9 @@ void FixRigidNHOMP::compute_forces_and_torques()
|
|||||||
|
|
||||||
if (id_gravity) {
|
if (id_gravity) {
|
||||||
#if defined(_OPENMP)
|
#if defined(_OPENMP)
|
||||||
#pragma omp parallel for LMP_DEFAULT_NONE private(ibody) schedule(static)
|
#pragma omp parallel for LMP_DEFAULT_NONE schedule(static)
|
||||||
#endif
|
#endif
|
||||||
for (ibody = 0; ibody < nbody; ibody++) {
|
for (int ibody = 0; ibody < nbody; ibody++) {
|
||||||
fcm[ibody][0] += gvec[0]*masstotal[ibody];
|
fcm[ibody][0] += gvec[0]*masstotal[ibody];
|
||||||
fcm[ibody][1] += gvec[1]*masstotal[ibody];
|
fcm[ibody][1] += gvec[1]*masstotal[ibody];
|
||||||
fcm[ibody][2] += gvec[2]*masstotal[ibody];
|
fcm[ibody][2] += gvec[2]*masstotal[ibody];
|
||||||
@ -628,12 +626,11 @@ void FixRigidNHOMP::set_xv_thr()
|
|||||||
// set x and v of each atom
|
// set x and v of each atom
|
||||||
|
|
||||||
const int nlocal = atom->nlocal;
|
const int nlocal = atom->nlocal;
|
||||||
int i;
|
|
||||||
|
|
||||||
#if defined(_OPENMP)
|
#if defined(_OPENMP)
|
||||||
#pragma omp parallel for LMP_DEFAULT_NONE private(i) reduction(+:v0,v1,v2,v3,v4,v5)
|
#pragma omp parallel for LMP_DEFAULT_NONE reduction(+:v0,v1,v2,v3,v4,v5)
|
||||||
#endif
|
#endif
|
||||||
for (i = 0; i < nlocal; i++) {
|
for (int i = 0; i < nlocal; i++) {
|
||||||
const int ibody = body[i];
|
const int ibody = body[i];
|
||||||
if (ibody < 0) continue;
|
if (ibody < 0) continue;
|
||||||
|
|
||||||
@ -829,12 +826,11 @@ void FixRigidNHOMP::set_v_thr()
|
|||||||
// set v of each atom
|
// set v of each atom
|
||||||
|
|
||||||
const int nlocal = atom->nlocal;
|
const int nlocal = atom->nlocal;
|
||||||
int i;
|
|
||||||
|
|
||||||
#if defined(_OPENMP)
|
#if defined(_OPENMP)
|
||||||
#pragma omp parallel for LMP_DEFAULT_NONE private(i) reduction(+:v0,v1,v2,v3,v4,v5)
|
#pragma omp parallel for LMP_DEFAULT_NONE reduction(+:v0,v1,v2,v3,v4,v5)
|
||||||
#endif
|
#endif
|
||||||
for (i = 0; i < nlocal; i++) {
|
for (int i = 0; i < nlocal; i++) {
|
||||||
const int ibody = body[i];
|
const int ibody = body[i];
|
||||||
if (ibody < 0) continue;
|
if (ibody < 0) continue;
|
||||||
|
|
||||||
|
|||||||
Reference in New Issue
Block a user