initial attempt to refactor the citation logging in LAMMPS

this implements the basic features and flow of control.
to be done are the specific texts and the documentation.
This commit is contained in:
Axel Kohlmeyer
2020-12-27 12:14:12 -05:00
parent ab5a1f229e
commit 4912cde2ae
6 changed files with 122 additions and 37 deletions

View File

@ -13,6 +13,7 @@
#include "minimize.h"
#include "citeme.h"
#include "domain.h"
#include "error.h"
#include "finish.h"
@ -46,6 +47,7 @@ void Minimize::command(int narg, char **arg)
if (update->etol < 0.0 || update->ftol < 0.0)
error->all(FLERR,"Illegal minimize command");
if (lmp->citeme) lmp->citeme->flush();
update->whichflag = 2;
update->beginstep = update->firststep = update->ntimestep;
update->endstep = update->laststep = update->firststep + update->nsteps;