Merge pull request #2758 from akohlmey/collected-small-changes

Collected small changes and fixes for the next patch release
This commit is contained in:
Axel Kohlmeyer
2021-05-11 19:31:12 -04:00
committed by GitHub
34 changed files with 426 additions and 218 deletions

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@ -59,6 +59,7 @@ NEB::NEB(LAMMPS *lmp, double etol_in, double ftol_in, int n1steps_in,
n1steps = n1steps_in;
n2steps = n2steps_in;
nevery = nevery_in;
verbose = false;
// replica info