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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-07-01 20:28:37 +00:00
parent b58c43a5ec
commit c318361d2f
15 changed files with 97 additions and 101 deletions
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12
src/compute_temp_sphere.cpp
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@ -26,6 +26,8 @@
using namespace LAMMPS_NS;
enum{DUMMY0,INVOKED_SCALAR,INVOKED_VECTOR,DUMMMY3,INVOKED_PERATOM};
#define INERTIA 0.4 // moment of inertia for sphere
/* ---------------------------------------------------------------------- */
@ -240,7 +242,10 @@ double ComputeTempSphere::compute_scalar()
invoked_scalar = update->ntimestep;
if (tempbias) {
if (tbias->invoked_scalar != update->ntimestep) tbias->compute_scalar();
if (!(tbias->invoked_flag & INVOKED_SCALAR)) {
tbias->compute_scalar();
tbias->invoked_flag |= INVOKED_SCALAR;
}
tbias->remove_bias_all();
}
@ -324,7 +329,10 @@ void ComputeTempSphere::compute_vector()
invoked_vector = update->ntimestep;
if (tempbias) {
if (tbias->invoked_vector != update->ntimestep) tbias->compute_vector();
if (!(tbias->invoked_flag & INVOKED_VECTOR)) {
tbias->compute_vector();
tbias->invoked_flag |= INVOKED_VECTOR;
}
tbias->remove_bias_all();
}