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new examples and debugging code changes

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This commit is contained in:
Steve Plimpton
2022-06-14 17:29:01 -06:00
parent 34863c6c97
commit a5745d925a
19 changed files with 507 additions and 81 deletions
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22
src/MDI/mdi_command.cpp
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@ -31,8 +31,26 @@ void MDICommand::command(int narg, char **arg)
if (strcmp(arg[0], "engine") == 0) {
MDIEngine(lmp, narg - 1, &arg[1]);
} else if (strcmp(arg[0], "plugin") == 0) {
MDIPlugin(lmp, narg - 1, &arg[1]);
} else
error->all(FLERR, "Illegal mdi command");
} else if (strcmp(arg[0], "start") == 0) {
MDI_Comm mdicomm;
MDI_Get_communicator(&mdicomm, 0);
if (mdicomm == MDI_COMM_NULL) {
MDI_Accept_communicator(&mdicomm);
if (mdicomm == MDI_COMM_NULL)
error->all(FLERR, "MDI unable to connect to stand-alone engine");
} else error->all(FLERR, "Cannot use mdi start in plugin mode");
lmp->mdicomm = mdicomm;
} else if (strcmp(arg[0], "stop") == 0) {
MDI_Comm mdicomm = lmp->mdicomm;
int ierr = MDI_Send_command("EXIT", mdicomm);
if (ierr) error->all(FLERR, "MDI: EXIT command");
lmp->mdicomm = MDI_COMM_NULL;
} else error->all(FLERR, "Illegal mdi command");
}