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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6187 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-05-20 17:14:51 +00:00
parent 717139ef0f
commit b40cd20066
2 changed files with 7 additions and 5 deletions
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4
src/atom_vec_hybrid.cpp
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@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
AtomVecHybrid::AtomVecHybrid(LAMMPS *lmp, int narg, char **arg) : AtomVecHybrid::AtomVecHybrid(LAMMPS *lmp, int narg, char **arg) :
AtomVec(lmp, narg, arg) AtomVec(lmp, narg, arg)
{ {
int i,k; int i,k,dummy;
if (narg < 1) error->all("Illegal atom_style command"); if (narg < 1) error->all("Illegal atom_style command");
@ -50,7 +50,7 @@ AtomVecHybrid::AtomVecHybrid(LAMMPS *lmp, int narg, char **arg) :
error->all("Atom style hybrid cannot use same atom style twice"); error->all("Atom style hybrid cannot use same atom style twice");
if (strcmp(arg[i],"hybrid") == 0) if (strcmp(arg[i],"hybrid") == 0)
error->all("Atom style hybrid cannot have hybrid as an argument"); error->all("Atom style hybrid cannot have hybrid as an argument");
styles[i] = atom->new_avec(arg[i],0,NULL); styles[i] = atom->new_avec(arg[i],0,NULL,NULL,dummy);
keywords[i] = new char[strlen(arg[i])+1]; keywords[i] = new char[strlen(arg[i])+1];
strcpy(keywords[i],arg[i]); strcpy(keywords[i],arg[i]);
} }

8
src/pair_hybrid.cpp
View File

@ -227,6 +227,8 @@ void PairHybrid::settings(int narg, char **arg)
// exception is 1st arg of reax/c style, which is non-numeric // exception is 1st arg of reax/c style, which is non-numeric
// need a better way to skip these exceptions // need a better way to skip these exceptions
int dummy;
nstyles = 0; nstyles = 0;
i = 0; i = 0;
while (i < narg) { while (i < narg) {
@ -237,7 +239,7 @@ void PairHybrid::settings(int narg, char **arg)
error->all("Pair style hybrid cannot have hybrid as an argument"); error->all("Pair style hybrid cannot have hybrid as an argument");
if (strcmp(arg[i],"none") == 0) if (strcmp(arg[i],"none") == 0)
error->all("Pair style hybrid cannot have none as an argument"); error->all("Pair style hybrid cannot have none as an argument");
styles[nstyles] = force->new_pair(arg[i]); styles[nstyles] = force->new_pair(arg[i],NULL,dummy);
keywords[nstyles] = new char[strlen(arg[i])+1]; keywords[nstyles] = new char[strlen(arg[i])+1];
strcpy(keywords[nstyles],arg[i]); strcpy(keywords[nstyles],arg[i]);
istyle = i; istyle = i;
@ -574,14 +576,14 @@ void PairHybrid::read_restart(FILE *fp)
// each sub-style is created via new_pair() // each sub-style is created via new_pair()
// each reads its settings, but no coeff info // each reads its settings, but no coeff info
int n; int n,dummy;
for (int m = 0; m < nstyles; m++) { for (int m = 0; m < nstyles; m++) {
if (me == 0) fread(&n,sizeof(int),1,fp); if (me == 0) fread(&n,sizeof(int),1,fp);
MPI_Bcast(&n,1,MPI_INT,0,world); MPI_Bcast(&n,1,MPI_INT,0,world);
keywords[m] = new char[n]; keywords[m] = new char[n];
if (me == 0) fread(keywords[m],sizeof(char),n,fp); if (me == 0) fread(keywords[m],sizeof(char),n,fp);
MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world);
styles[m] = force->new_pair(keywords[m]); styles[m] = force->new_pair(keywords[m],NULL,dummy);
styles[m]->read_restart_settings(fp); styles[m]->read_restart_settings(fp);
} }
} }