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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11621 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-03-10 16:43:25 +00:00
parent f7a3672c36
commit 91360a80a8
3 changed files with 111 additions and 26 deletions
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14
src/write_data.cpp
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@ -272,27 +272,27 @@ void WriteData::force_fields()
{
if (force->pair && force->pair->writedata) {
if (pairflag == II) {
fprintf(fp,"\nPair Coeffs\n\n");
fprintf(fp,"\nPair Coeffs # %s\n\n", force->pair_style);
force->pair->write_data(fp);
} else if (pairflag == IJ) {
fprintf(fp,"\nPairIJ Coeffs\n\n");
fprintf(fp,"\nPairIJ Coeffs # %s\n\n", force->pair_style);
force->pair->write_data_all(fp);
}
}
if (force->bond && force->bond->writedata) {
fprintf(fp,"\nBond Coeffs\n\n");
fprintf(fp,"\nBond Coeffs # %s\n\n", force->bond_style);
force->bond->write_data(fp);
}
if (force->angle && force->angle->writedata) {
fprintf(fp,"\nAngle Coeffs\n\n");
fprintf(fp,"\nAngle Coeffs # %s\n\n", force->angle_style);
force->angle->write_data(fp);
}
if (force->dihedral && force->dihedral->writedata) {
fprintf(fp,"\nDihedral Coeffs\n\n");
fprintf(fp,"\nDihedral Coeffs # %s\n\n", force->dihedral_style);
force->dihedral->write_data(fp);
}
if (force->improper && force->improper->writedata) {
fprintf(fp,"\nImproper Coeffs\n\n");
fprintf(fp,"\nImproper Coeffs # %s\n\n", force->improper_style);
force->improper->write_data(fp);
}
}
@ -329,7 +329,7 @@ void WriteData::atoms()
MPI_Request request;
if (me == 0) {
fprintf(fp,"\nAtoms\n\n");
fprintf(fp,"\nAtoms # %s\n\n",atom->atom_style);
for (int iproc = 0; iproc < nprocs; iproc++) {
if (iproc) {
MPI_Irecv(&buf[0][0],maxrow*ncol,MPI_DOUBLE,iproc,0,world,&request);