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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-30 20:10:18 +00:00
parent 40ac5cd2fb
commit aedbb28b6c
86 changed files with 97 additions and 193 deletions
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6
src/fix_box_relax.cpp
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@ -364,8 +364,8 @@ double FixBoxRelax::min_energy(double *fextra)
{
double eng,scale,scalex,scaley,scalez,scalevol;
double t_current = temperature->compute_scalar();
if (pstyle == ISO) double tmp = pressure->compute_scalar();
temperature->compute_scalar();
if (pstyle == ISO) pressure->compute_scalar();
else {
temperature->compute_vector();
pressure->compute_vector();
@ -735,7 +735,7 @@ int FixBoxRelax::modify_param(int narg, char **arg)
void FixBoxRelax::compute_sigma()
{
double pdevmod[3][3],pdeviatoric[3][3],htmp[3][3];
double pdeviatoric[3][3],htmp[3][3];
double tmp1[3][3],sigma_tensor[3][3],h_invtmp[3][3];
// reset reference box dimensions