jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

use min_post_force() method to hook fix halt into minimization

This commit is contained in:
Axel Kohlmeyer 2018-10-19 14:08:25 -04:00
parent cc6f1be82d
commit 80e0dddae0
2 changed files with 7 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/fix_halt.cpp
View File

@ -119,6 +119,7 @@ int FixHalt::setmask()
int mask = 0;
mask |= END_OF_STEP;
mask |= POST_RUN;
mask |= MIN_POST_FORCE;
return mask;
}
@ -138,14 +139,17 @@ void FixHalt::init()
// settings used by TLIMIT
nextstep = (update->ntimestep/nevery)*nevery + nevery;
thisstep = -1;
tratio = 0.5;
}
/* ---------------------------------------------------------------------- */
void FixHalt::min_step(double, double *)
void FixHalt::min_post_force(int /* vflag */)
{
if (update->ntimestep == thisstep) return;
if ((update->ntimestep % nevery) == 0) end_of_step();
thisstep = update->ntimestep;
}
/* ---------------------------------------------------------------------- */

4
src/fix_halt.h
View File

@ -32,12 +32,12 @@ class FixHalt : public Fix {
int setmask();
void init();
void end_of_step();
void min_step(double, double *);
void min_post_force(int);
void post_run();
private:
int attribute,operation,eflag,msgflag,ivar;
bigint nextstep;
bigint nextstep,thisstep;
double value,tratio;
char *idvar;