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new dump_modify refresh and compute displace/atom refresh commands for incremental dump files

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This commit is contained in:
Steven J. Plimpton
2018-03-27 14:37:04 -06:00
parent 24e48760da
commit 2aef3a0e96
9 changed files with 270 additions and 30 deletions
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16
src/dump_custom.cpp
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@ -60,7 +60,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
earg(NULL), vtype(NULL), vformat(NULL), columns(NULL), choose(NULL),
dchoose(NULL), clist(NULL), field2index(NULL), argindex(NULL), id_compute(NULL),
compute(NULL), id_fix(NULL), fix(NULL), id_variable(NULL), variable(NULL),
vbuf(NULL), id_custom(NULL), flag_custom(NULL), typenames(NULL), pack_choice(NULL)
vbuf(NULL), id_custom(NULL), flag_custom(NULL), typenames(NULL),
pack_choice(NULL)
{
if (narg == 5) error->all(FLERR,"No dump custom arguments specified");
@ -1673,6 +1674,19 @@ int DumpCustom::modify_param(int narg, char **arg)
return ntypes+1;
}
if (strcmp(arg[0],"refresh") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
if (strncmp(arg[1],"c_",2) != 0)
error->all(FLERR,"Illegal dump_modify command");
if (refreshflag) error->all(FLERR,"Dump modify can only have one refresh");
refreshflag = 1;
int n = strlen(arg[1]);
refresh = new char[n];
strcpy(refresh,&arg[1][2]);
return 2;
}
if (strcmp(arg[0],"thresh") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
if (strcmp(arg[1],"none") == 0) {