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let dump_modify types numeric revert labels

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This commit is contained in:
Jacob Gissinger
2024-05-30 11:34:41 -04:00
parent bd5c600608
commit 61b8619f07
1 changed files with 7 additions and 7 deletions
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14
src/dump_xyz.cpp
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@ -125,13 +125,6 @@ int DumpXYZ::modify_param(int narg, char **arg)
if (strcmp(arg[0],"types") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
if (strcmp(arg[1],"numeric") == 0) {
return 2;
} else if (strcmp(arg[1],"labels") == 0) {
if (!atom->labelmapflag)
error->all(FLERR, "Label map must be defined when using 'types labels'");
} else error->all(FLERR, "Illegal option for dump_modify 'types' keyword");
if (typenames) {
for (int i = 1; i <= ntypes; i++)
@ -141,6 +134,13 @@ int DumpXYZ::modify_param(int narg, char **arg)
typenames = nullptr;
}
if (strcmp(arg[1],"numeric") == 0) {
return 2;
} else if (strcmp(arg[1],"labels") == 0) {
if (!atom->labelmapflag)
error->all(FLERR, "Label map must be defined when using 'types labels'");
} else error->all(FLERR, "Illegal option for dump_modify 'types' keyword");
typenames = new char*[ntypes+1];
for (int itype = 1; itype <= ntypes; itype++) {
typenames[itype] = utils::strdup(atom->lmap->typelabel[itype-1]);