when using "write_data" with "noinit" and "pair ij" generate missing pair coeffs by calling Pair::init_one()

This commit is contained in:
Axel Kohlmeyer
2024-08-06 06:17:44 -04:00
parent 494660700a
commit 543ceaaf89
2 changed files with 42 additions and 37 deletions

View File

@ -31,12 +31,12 @@ class WriteData : public Command {
void write(const std::string &);
private:
int me, nprocs;
int pairflag;
int coeffflag;
int fixflag;
int triclinic_general;
int lmapflag;
int noinitflag;
FILE *fp;
bigint nbonds_local, nbonds;
bigint nangles_local, nangles;