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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13315 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-27 19:55:56 +00:00
parent fd1e7078b4
commit c56fbcd1a3
2 changed files with 3 additions and 2 deletions
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3
src/neighbor.cpp
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@ -876,7 +876,8 @@ void Neighbor::init()
int bond_off = 0; int bond_off = 0;
int angle_off = 0; int angle_off = 0;
for (i = 0; i < modify->nfix; i++) for (i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"shake") == 0) if ((strcmp(modify->fix[i]->style,"shake") == 0)
|| (strcmp(modify->fix[i]->style,"rattle") == 0))
bond_off = angle_off = 1; bond_off = angle_off = 1;
if (force->bond && force->bond_match("quartic")) bond_off = 1; if (force->bond && force->bond_match("quartic")) bond_off = 1;

2
src/special.cpp
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@ -220,7 +220,7 @@ void Special::build()
// extract count from buffer that has cycled back to me // extract count from buffer that has cycled back to me
// nspecial[i][1] = # of 1-3 neighbors of atom i // nspecial[i][1] = # of 1-3 neighbors of atom i
j = 0; < j = 0;
for (i = 0; i < nlocal; i++) { for (i = 0; i < nlocal; i++) {
nspecial[i][1] = buf[j]; nspecial[i][1] = buf[j];
j += 2 + nspecial[i][0]; j += 2 + nspecial[i][0];