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Added once option to neigh_modify

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2594 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2009-02-17 18:49:46 +00:00
parent e355851034
commit 121f55748c
2 changed files with 11 additions and 0 deletions
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10
src/neighbor.cpp
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@ -70,6 +70,7 @@ Neighbor::Neighbor(LAMMPS *lmp) : Pointers(lmp)
pgsize = 100000; pgsize = 100000;
oneatom = 2000; oneatom = 2000;
binsizeflag = 0; binsizeflag = 0;
build_once = 0;
cutneighsq = NULL; cutneighsq = NULL;
cuttype = NULL; cuttype = NULL;
@ -967,6 +968,9 @@ void Neighbor::print_lists_of_lists()
int Neighbor::decide() int Neighbor::decide()
{ {
if (build_once) return 0;
if (must_check) { if (must_check) {
int n = update->ntimestep; int n = update->ntimestep;
if (restart_check && n == output->next_restart) return 1; if (restart_check && n == output->next_restart) return 1;
@ -1345,6 +1349,12 @@ void Neighbor::modify_params(int narg, char **arg)
else if (strcmp(arg[iarg+1],"no") == 0) dist_check = 0; else if (strcmp(arg[iarg+1],"no") == 0) dist_check = 0;
else error->all("Illegal neigh_modify command"); else error->all("Illegal neigh_modify command");
iarg += 2; iarg += 2;
} else if (strcmp(arg[iarg],"once") == 0) {
if (iarg+2 > narg) error->all("Illegal neigh_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) build_once = 1;
else if (strcmp(arg[iarg+1],"no") == 0) build_once = 0;
else error->all("Illegal neigh_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"page") == 0) { } else if (strcmp(arg[iarg],"page") == 0) {
if (iarg+2 > narg) error->all("Illegal neigh_modify command"); if (iarg+2 > narg) error->all("Illegal neigh_modify command");
pgsize = atoi(arg[iarg+1]); pgsize = atoi(arg[iarg+1]);

1
src/neighbor.h
View File

@ -78,6 +78,7 @@ class Neighbor : protected Pointers {
int maxbond,maxangle,maxdihedral,maximproper; // size of bond lists int maxbond,maxangle,maxdihedral,maximproper; // size of bond lists
int must_check; // 1 if must check other classes to reneigh int must_check; // 1 if must check other classes to reneigh
int build_once; // 1 if never rebuild
int restart_check; // 1 if restart enabled, 0 if no int restart_check; // 1 if restart enabled, 0 if no
int fix_check; // # of fixes that induce reneigh int fix_check; // # of fixes that induce reneigh
int *fixchecklist; // which fixes to check int *fixchecklist; // which fixes to check