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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2016-08-10 14:59:04 +00:00
parent b3364ae943
commit 639ea6c396
13 changed files with 42 additions and 21 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/fix_nh.cpp
View File

@ -1013,12 +1013,18 @@ void FixNH::couple()
p_current[2] = tensor[2];
}
if (!ISFINITE(p_current[0]) || !ISFINITE(p_current[1]) || !ISFINITE(p_current[2]))
error->all(FLERR,"Non-numeric pressure - simulation unstable");
// switch order from xy-xz-yz to Voigt
if (pstyle == TRICLINIC) {
p_current[3] = tensor[5];
p_current[4] = tensor[4];
p_current[5] = tensor[3];
if (!ISFINITE(p_current[3]) || !ISFINITE(p_current[4]) || !ISFINITE(p_current[5]))
error->all(FLERR,"Non-numeric pressure - simulation unstable");
}
}