ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

change what is required/optional for mdi plugin command

Browse Source
This commit is contained in:
Steve Plimpton
2022-07-20 09:55:19 -06:00
parent 9061be98c2
commit d6e8e044df
3 changed files with 28 additions and 23 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/MDI/mdi_plugin.cpp
View File

@ -74,18 +74,22 @@ MDIPlugin::MDIPlugin(LAMMPS *_lmp, int narg, char **arg) : Pointers(_lmp)
// error checks
if (!mdi_arg || !infile_arg || !lammps_command)
error->all(FLERR, "MDI plugin must specify mdi, infile, command keywords");
if (!mdi_arg || !lammps_command)
error->all(FLERR, "MDI plugin must specify mdi and command keywords");
// build full plugin_args string for args to plugin library
int n = strlen(mdi_arg) + strlen(infile_arg) + strlen(extra_arg) + 16;
int n = strlen(mdi_arg) + 16;
if (infile_arg) n += strlen(infile_arg);
if (extra_arg) n += strlen(extra_arg);
auto plugin_args = new char[n];
plugin_args[0] = 0;
strcat(plugin_args, "-mdi \"");
strcat(plugin_args, mdi_arg);
strcat(plugin_args, "\" -in ");
strcat(plugin_args, infile_arg);
if (infile_arg) {
strcat(plugin_args, "\" -in ");
strcat(plugin_args, infile_arg);
}
if (extra_arg) {
strcat(plugin_args, " ");
strcat(plugin_args, extra_arg);