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

new accessor APIs for fixes and computes in Modify plus a few applications

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-08-08 17:25:06 -04:00
parent ef04f6ca69
commit 5b40e4cb38
20 changed files with 397 additions and 388 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
src/balance.cpp
View File

@ -496,11 +496,8 @@ void Balance::weight_storage(char *prefix)
if (prefix) cmd = prefix;
cmd += "IMBALANCE_WEIGHTS";
int ifix = modify->find_fix(cmd);
if (ifix < 1) {
cmd += " all STORE peratom 0 1";
fixstore = (FixStore *) modify->add_fix(cmd);
} else fixstore = (FixStore *) modify->fix[ifix];
fixstore = (FixStore *) modify->get_fix_by_id(cmd);
if (!fixstore) fixstore = (FixStore *) modify->add_fix(cmd + " all STORE peratom 0 1");
// do not carry weights with atoms during normal atom migration