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Added triclinic cell keywords and tilt factor scaling options

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2011-06-16 16:30:04 +00:00
parent c4df1d931a
commit dfb085b321
5 changed files with 358 additions and 52 deletions
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src/fix_deform.cpp
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@ -483,7 +483,7 @@ void FixDeform::init()
// test for WIGGLE is on min/max oscillation limit, not tilt_stop
// this is b/c the flips would induce continuous changes in xz
// in order to keep the edge vectors of the flipped shape matrix
// a linear combination of the edge vectors of the unflipped shape matrix
// an integer combination of the edge vectors of the unflipped shape matrix
if (set[3].style && set[5].style) {
int flag = 0;
@ -729,7 +729,7 @@ void FixDeform::end_of_step()
// flip will be performed on next timestep before reneighboring
// when yz flips and xy is non-zero, xz must also change
// this is to keep the edge vectors of the flipped shape matrix
// a linear combination of the edge vectors of the unflipped shape matrix
// an integer combination of the edge vectors of the unflipped shape matrix
if (triclinic) {
double xprd = set[0].hi_target - set[0].lo_target;