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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-01-19 23:38:26 +00:00
parent a080316187
commit e72afc5488
13 changed files with 61 additions and 23 deletions
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11
src/pair.cpp
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@ -44,10 +44,16 @@ using namespace LAMMPS_NS;
enum{NONE,RLINEAR,RSQ,BMP};
// allocate space for static class instance variable and initialize it
int Pair::instance_total = 0;
/* ---------------------------------------------------------------------- */
Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
{
instance_me = instance_total++;
THIRD = 1.0/3.0;
eng_vdwl = eng_coul = 0.0;
@ -70,7 +76,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
ewaldflag = pppmflag = msmflag = dispersionflag = tip4pflag = dipoleflag = 0;
reinitflag = 1;
// pair_modify settings
// pair_modify settingsx
compute_flag = 1;
manybody_flag = 0;
@ -246,7 +252,6 @@ void Pair::reinit()
if (!reinitflag)
error->all(FLERR,"Fix adapt interface to this pair style not supported");
etail = ptail = 0.0;
for (int i = 1; i <= atom->ntypes; i++)
@ -273,7 +278,7 @@ void Pair::reinit()
void Pair::init_style()
{
neighbor->request(this);
neighbor->request(this,instance_me);
}
/* ----------------------------------------------------------------------