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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1041 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-10-15 14:43:01 +00:00
parent 18561b3e0c
commit 2cac30ee1e
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/pair_yukawa.cpp
View File

@ -115,7 +115,7 @@ void PairYukawa::compute(int eflag, int vflag)
}
if (eflag) {
phi = asq[itype][jtype] * screening * rinv - offset[itype][jtype];
phi = a[itype][jtype] * screening * rinv - offset[itype][jtype];
if (newton_pair || j < nlocal) eng_coul += factor_coul*phi;
else eng_coul += 0.5*factor_coul*phi;
}
@ -325,7 +325,7 @@ void PairYukawa::single(int i, int j, int itype, int jtype, double rsq,
one.fforce = factor_coul*forceyukawa * r2inv;
if (eflag) {
phi = asq[itype][jtype] * screening * rinv;
phi = a[itype][jtype] * screening * rinv - offset[itype][jtype];
one.eng_coul = factor_coul*phi;
one.eng_vdwl = 0.0;
}