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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1387 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-01-18 15:20:36 +00:00
parent f953536132
commit 89beb4487e
1 changed files with 3 additions and 3 deletions
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6
tools/restart2data.cpp
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@ -2535,10 +2535,10 @@ void Data::write(FILE *fp)
dihedral_multi_a5[i]);
} else if (strcmp(dihedral_style,"opls") == 0) {
for (int i = 1; i <= ndihedraltypes; i++)
for (int i = 1; i <= ndihedraltypes; i++) // restore factor of 2
fprintf(fp,"%d %g %g %g %g\n",i,
dihedral_opls_k1[i],dihedral_opls_k2[i],
dihedral_opls_k3[i],dihedral_opls_k4[i]);
2.0*dihedral_opls_k1[i],2.0*dihedral_opls_k2[i],
2.0*dihedral_opls_k3[i],2.0*dihedral_opls_k4[i]);
}
}