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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-17 23:48:15 +00:00
parent b161fbb52a
commit d55f968432
112 changed files with 1525 additions and 1350 deletions
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8
src/min.cpp
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@ -185,7 +185,8 @@ void Min::setup()
if (comm->me == 0 && screen) {
fprintf(screen,"Setting up %s style minimization ...\n",
update->minimize_style);
fprintf(screen," Unit style: %s\n", update->unit_style);
fprintf(screen," Unit style : %s\n", update->unit_style);
timer->print_timeout(screen);
}
update->setupflag = 1;
@ -397,7 +398,7 @@ void Min::run(int n)
// add ntimestep to all computes that store invocation times
// since are hardwiring call to thermo/dumps and computes may not be ready
if (stop_condition) {
if (stop_condition != MAXITER) {
update->nsteps = niter;
if (update->restrict_output == 0) {
@ -798,6 +799,7 @@ char *Min::stopstrings(int n)
"forces are zero",
"quadratic factors are zero",
"trust region too small",
"HFTN minimizer error"};
"HFTN minimizer error",
"walltime limit reached"};
return (char *) strings[n];
}