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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1644 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-03-19 17:01:55 +00:00
parent a62fdded3d
commit ff41cd8790
2 changed files with 3 additions and 0 deletions
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1
src/ASPHERE/pair_gayberne.cpp
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@ -160,6 +160,7 @@ void PairGayBerne::compute(int eflag, int vflag)
MathExtra::diag_times3(shape[jtype],a2,temp); MathExtra::diag_times3(shape[jtype],a2,temp);
MathExtra::transpose_times3(a2,temp,g2); MathExtra::transpose_times3(a2,temp,g2);
one_eng = gayberne_lj(j,i,a2,b2,g2,r12,rsq,fforce,rtor); one_eng = gayberne_lj(j,i,a2,b2,g2,r12,rsq,fforce,rtor);
ttor[0] = ttor[1] = ttor[2] = 0.0;
break; break;
case ELLIPSE_SPHERE: case ELLIPSE_SPHERE:

2
src/style_asphere.h
View File

@ -20,10 +20,12 @@ AtomStyle(ellipsoid,AtomVecEllipsoid)
# endif # endif
#ifdef ComputeInclude #ifdef ComputeInclude
#include "compute_erotate_asphere.h"
#include "compute_temp_asphere.h" #include "compute_temp_asphere.h"
#endif #endif
#ifdef ComputeClass #ifdef ComputeClass
ComputeStyle(erotate/asphere,ComputeERotateASphere)
ComputeStyle(temp/asphere,ComputeTempAsphere) ComputeStyle(temp/asphere,ComputeTempAsphere)
#endif #endif