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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
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30
src/pair_hybrid.cpp
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@ -49,10 +49,10 @@ PairHybrid::~PairHybrid()
}
if (allocated) {
memory->destroy_2d_int_array(setflag);
memory->destroy_2d_double_array(cutsq);
memory->destroy_2d_double_array(cutghost);
memory->destroy_2d_int_array(nmap);
memory->destroy(setflag);
memory->destroy(cutsq);
memory->destroy(cutghost);
memory->destroy(nmap);
memory->destroy(map);
}
}
@ -152,15 +152,15 @@ void PairHybrid::allocate()
allocated = 1;
int n = atom->ntypes;
setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
cutghost = memory->create_2d_double_array(n+1,n+1,"pair:cutghost");
memory->create(cutsq,n+1,n+1,"pair:cutsq");
memory->create(cutghost,n+1,n+1,"pair:cutghost");
nmap = memory->create_2d_int_array(n+1,n+1,"pair:nmap");
memory->create(nmap,n+1,n+1,"pair:nmap");
memory->create(map,n+1,n+1,nstyles,"pair:map");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
@ -187,10 +187,10 @@ void PairHybrid::settings(int narg, char **arg)
}
if (allocated) {
memory->destroy_2d_int_array(setflag);
memory->destroy_2d_double_array(cutsq);
memory->destroy_2d_double_array(cutghost);
memory->destroy_2d_int_array(nmap);
memory->destroy(setflag);
memory->destroy(cutsq);
memory->destroy(cutghost);
memory->destroy(nmap);
memory->destroy(map);
}
allocated = 0;
@ -395,8 +395,8 @@ void PairHybrid::init_style()
// set iskip = 1 only if all ijskip for itype are 1
int *iskip = new int[ntypes+1];
int **ijskip = memory->create_2d_int_array(ntypes+1,ntypes+1,
"pair_hybrid:ijskip");
int **ijskip;
memory->create(ijskip,ntypes+1,ntypes+1,"pair_hybrid:ijskip");
for (itype = 1; itype <= ntypes; itype++)
for (jtype = 1; jtype <= ntypes; jtype++)
@ -434,7 +434,7 @@ void PairHybrid::init_style()
neighbor->requests[i]->ijskip = ijskip;
} else {
delete [] iskip;
memory->destroy_2d_int_array(ijskip);
memory->destroy(ijskip);
}
}