initial implementation of automated unit conversion.

this includes a tester program and implementation into pair style tersoff
This commit is contained in:
Axel Kohlmeyer
2020-06-22 17:57:05 -04:00
parent f5a31fefdc
commit b29b3d52f6
9 changed files with 308 additions and 13 deletions

View File

@ -66,6 +66,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
no_virial_fdotr_compute = 0;
writedata = 0;
ghostneigh = 0;
unit_convert_flag = utils::NOCONVERT;
nextra = 0;
pvector = NULL;