ICODE-ADC/lammps
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upgrades to read/write data commands

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This commit is contained in:
Steve Plimpton
2023-09-15 16:49:56 -06:00
parent 30f7328841
commit c5b2d66283
9 changed files with 52 additions and 28 deletions
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4
src/write_restart.cpp
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@ -450,8 +450,8 @@ void WriteRestart::header()
write_int(TRICLINIC_GENERAL,domain->triclinic_general);
if (domain->triclinic_general) {
write_double_vec(ROTATE_G2R,9,&domain->rotate_g2r[0][0]);
write_double_vec(ROTATE_R2G,9,&domain->rotate_r2g[0][0]);
write_int(TRICLINIC_GENERAL_FLIP,domain->triclinic_general_flip);
write_double_vec(QUAT_G2R,4,domain->quat_g2r);
}
write_double_vec(SPECIAL_LJ,3,&force->special_lj[1]);