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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2711 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-04-01 22:23:28 +00:00
parent c12b42237c
commit 86b3f60494
8 changed files with 13 additions and 10 deletions
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3
src/fix_box_relax.cpp
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@ -269,8 +269,6 @@ double FixBoxRelax::min_energy(double *fextra)
// returned eng = PV must be in units of energy
// returned fextra must likewise be in units of energy
fextra[0] = fextra[1] = fextra[2] = 0.0;
if (press_couple == XYZ) {
scale = domain->xprd/xprdinit;
if (dimension == 3) {
@ -282,6 +280,7 @@ double FixBoxRelax::min_energy(double *fextra)
}
} else {
fextra[0] = fextra[1] = fextra[2] = 0.0;
scalex = scaley = scalez = 1.0;
if (p_flag[0]) scalex = domain->xprd/xprdinit;
if (p_flag[1]) scaley = domain->yprd/yprdinit;