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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13196 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-06 15:35:35 +00:00
parent e7e19bf0cb
commit 83f439bcd8
3 changed files with 10 additions and 8 deletions
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2
src/Makefile
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@ -13,7 +13,7 @@ OBJ = $(SRC:.cpp=.o)
# Package variables # Package variables
PACKAGE = asphere body class2 colloid dipole fld gpu granular kim \ PACKAGE = asphere body class2 colloid coreshell dipole fld gpu granular kim \
kokkos kspace manybody mc meam misc molecule mpiio opt peri poems \ kokkos kspace manybody mc meam misc molecule mpiio opt peri poems \
qeq reax replica rigid shock snap srd voronoi xtc qeq reax replica rigid shock snap srd voronoi xtc

12
src/RIGID/fix_rigid_small.cpp
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@ -2626,11 +2626,13 @@ void FixRigidSmall::set_molecule(int nlocalprev, tagint tagprev, int imol,
displace[i][1] = onemols[imol]->dxbody[m][1]; displace[i][1] = onemols[imol]->dxbody[m][1];
displace[i][2] = onemols[imol]->dxbody[m][2]; displace[i][2] = onemols[imol]->dxbody[m][2];
eflags[i] = 0; if (extended) {
if (onemols[imol]->radiusflag) { eflags[i] = 0;
eflags[i] |= SPHERE; if (onemols[imol]->radiusflag) {
eflags[i] |= OMEGA; eflags[i] |= SPHERE;
eflags[i] |= TORQUE; eflags[i] |= OMEGA;
eflags[i] |= TORQUE;
}
} }
if (bodyown[i] >= 0) { if (bodyown[i] >= 0) {

4
src/velocity.cpp
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@ -99,15 +99,15 @@ void Velocity::command(int narg, char **arg)
else if (style == ZERO) options(narg-3,&arg[3]); else if (style == ZERO) options(narg-3,&arg[3]);
// special cases where full init and border communication must be done first // special cases where full init and border communication must be done first
// for CREATE/SET if compute temp/cs is used
// for ZERO if fix rigid/small is used // for ZERO if fix rigid/small is used
// for CREATE/SET if compute temp/cs is used
// b/c methods invoked in the compute/fix perform forward/reverse comm // b/c methods invoked in the compute/fix perform forward/reverse comm
int initcomm = 0; int initcomm = 0;
if (style == ZERO && rfix >= 0 && if (style == ZERO && rfix >= 0 &&
strcmp(modify->fix[rfix]->style,"rigid/small") == 0) initcomm = 1; strcmp(modify->fix[rfix]->style,"rigid/small") == 0) initcomm = 1;
if ((style == CREATE || style == SET) && temperature && if ((style == CREATE || style == SET) && temperature &&
strcmp(temperature->style,"temp/cs2") == 0) initcomm = 1; strcmp(temperature->style,"temp/cs") == 0) initcomm = 1;
if (initcomm) { if (initcomm) {
lmp->init(); lmp->init();