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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-03-10 15:56:49 +00:00
parent 3d6ac732ad
commit 5e1d34a23d
32 changed files with 66 additions and 101 deletions
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6
src/fix_box_relax.cpp
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@ -812,7 +812,7 @@ int FixBoxRelax::modify_param(int narg, char **arg)
void FixBoxRelax::compute_sigma()
{
double 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
@ -829,7 +829,7 @@ void FixBoxRelax::compute_sigma()
h0_inv[3] = domain->h_inv[3];
h0_inv[4] = domain->h_inv[4];
h0_inv[5] = domain->h_inv[5];
/* DEAD CODE
htmp[0][0] = h0[0];
htmp[1][1] = h0[1];
htmp[2][2] = h0[2];
@ -839,7 +839,7 @@ void FixBoxRelax::compute_sigma()
htmp[2][1] = 0.0;
htmp[2][0] = 0.0;
htmp[1][0] = 0.0;
*/
h_invtmp[0][0] = h0_inv[0];
h_invtmp[1][1] = h0_inv[1];
h_invtmp[2][2] = h0_inv[2];