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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-06 16:07:54 +00:00
parent a9495cb7f0
commit 2cca373515
66 changed files with 310 additions and 272 deletions
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10
src/USER-REAXC/fix_qeq_reax.cpp
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@ -802,8 +802,8 @@ void FixQEqReax::calculate_Q()
/* ---------------------------------------------------------------------- */
int FixQEqReax::pack_comm(int n, int *list, double *buf,
int pbc_flag, int *pbc)
int FixQEqReax::pack_forward_comm(int n, int *list, double *buf,
int pbc_flag, int *pbc)
{
int m;
@ -816,12 +816,12 @@ int FixQEqReax::pack_comm(int n, int *list, double *buf,
else if( pack_flag == 4 )
for(m = 0; m < n; m++) buf[m] = atom->q[list[m]];
return 1;
return n;
}
/* ---------------------------------------------------------------------- */
void FixQEqReax::unpack_comm(int n, int first, double *buf)
void FixQEqReax::unpack_forward_comm(int n, int first, double *buf)
{
int i, m;
@ -841,7 +841,7 @@ int FixQEqReax::pack_reverse_comm(int n, int first, double *buf)
{
int i, m;
for(m = 0, i = first; m < n; m++, i++) buf[m] = q[i];
return 1;
return n;
}
/* ---------------------------------------------------------------------- */