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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8489 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-07-16 16:22:16 +00:00
parent e81f2934e0
commit 0d1ef8e3be
1 changed files with 3 additions and 4 deletions
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7
src/domain.cpp
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@ -42,7 +42,6 @@ using namespace MathConst;
#define SMALL 1.0e-4
#define DELTA 1
#define BONDSTRETCH 1.1
#define DELTATILT 0.1
enum{NO_REMAP,X_REMAP,V_REMAP}; // same as fix_deform.cpp
@ -141,11 +140,11 @@ void Domain::set_initial_box()
if (triclinic) {
if (domain->dimension == 2 && (xz != 0.0 || yz != 0.0))
error->all(FLERR,"Cannot skew triclinic box in z for 2d simulation");
if (fabs(xy/(boxhi[0]-boxlo[0])) > 0.5+DELTATILT)
if (fabs(xy/(boxhi[0]-boxlo[0])) > 0.5)
error->all(FLERR,"Triclinic box skew is too large");
if (fabs(xz/(boxhi[0]-boxlo[0])) > 0.5+DELTATILT)
if (fabs(xz/(boxhi[0]-boxlo[0])) > 0.5)
error->all(FLERR,"Triclinic box skew is too large");
if (fabs(yz/(boxhi[1]-boxlo[1])) > 0.5+DELTATILT)
if (fabs(yz/(boxhi[1]-boxlo[1])) > 0.5)
error->all(FLERR,"Triclinic box skew is too large");
}