jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

fix bug in bond style gromos/omp

This commit is contained in:
Axel Kohlmeyer 2020-05-30 10:23:25 -04:00
parent 1ec179e80a
commit 4c0ce402c1
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/USER-OMP/bond_gromos_omp.cpp
View File

@ -103,7 +103,7 @@ void BondGromosOMP::eval(int nfrom, int nto, ThrData * const thr)
fbond = -4.0 * kdr;
if (EFLAG) ebond = kdr;
if (EFLAG) ebond = kdr*dr;
// apply force to each of 2 atoms