Updated tests and documentation, added warning message

This commit is contained in:
Oliver Henrich
2021-07-19 11:22:06 +01:00
parent b7a17dc25d
commit 15b3b6445e
47 changed files with 19656 additions and 19382 deletions

View File

@ -15,6 +15,8 @@
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
@ -46,6 +48,11 @@ AtomVecOxdna::AtomVecOxdna(LAMMPS *lmp) : AtomVec(lmp)
fields_data_vel = (char *) "id v";
setup_fields();
if(!force->newton_bond) {
error->warning(FLERR,"Write_data command requires newton_bond on to preserve 3'->5' bond polarity");
}
}
/* ---------------------------------------------------------------------- */