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correct velocity output for write_data of atom style smd

This commit is contained in:
Axel Kohlmeyer 2017-12-13 18:42:24 -05:00
parent e5cd068cd5
commit 8a36cdc6bc
1 changed files with 1 additions and 2 deletions
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3
src/USER-SMD/atom_vec_smd.cpp
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@ -1215,8 +1215,7 @@ int AtomVecSMD::pack_vel_hybrid(int i, double *buf) {
void AtomVecSMD::write_vel(FILE *fp, int n, double **buf) { void AtomVecSMD::write_vel(FILE *fp, int n, double **buf) {
for (int i = 0; i < n; i++) for (int i = 0; i < n; i++)
fprintf(fp, TAGINT_FORMAT fprintf(fp, TAGINT_FORMAT
" %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e\n", (tagint) ubuf(buf[i][0]).i, buf[i][1], buf[i][2], buf[i][3], " %-1.16e %-1.16e %-1.16e\n", (tagint) ubuf(buf[i][0]).i, buf[i][1], buf[i][2], buf[i][3]);
buf[i][4], buf[i][5], buf[i][6]);
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------