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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-10-22 22:06:49 +00:00
parent b229c719d0
commit cee848f948
70 changed files with 331 additions and 1390 deletions
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11
src/USER-MISC/pair_tersoff_table.cpp
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@ -306,10 +306,6 @@ void PairTersoffTable::compute(int eflag, int vflag)
if (r_ik > params[ikparam].cutsq) continue;
r_ik = sqrt(r_ik);
invR_ik = 1.0 / r_ik;
gtetaFunctionIJK = preGtetaFunction[neighbor_j][neighbor_k];
cutoffFunctionIK = preCutoffFunction[neighbor_k];
@ -335,13 +331,6 @@ void PairTersoffTable::compute(int eflag, int vflag)
if (r_ik > params[ikparam].cutsq) continue;
r_ik = sqrt(r_ik);
invR_ik = 1.0 / r_ik;
directorCos_ik_x = invR_ik * dr_ik[0];
directorCos_ik_y = invR_ik * dr_ik[1];
directorCos_ik_z = invR_ik * dr_ik[2];
gtetaFunctionIJK = preGtetaFunction[neighbor_j][neighbor_k];
cutoffFunctionIK = preCutoffFunction[neighbor_k];