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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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7
src/min_sd.cpp
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@ -25,10 +25,6 @@ using namespace LAMMPS_NS;
#define EPS_ENERGY 1.0e-8
// same as in other min classes
enum{MAXITER,MAXEVAL,ETOL,FTOL,DOWNHILL,ZEROALPHA,ZEROFORCE,ZEROQUAD};
/* ---------------------------------------------------------------------- */
MinSD::MinSD(LAMMPS *lmp) : MinLineSearch(lmp) {}
@ -58,6 +54,9 @@ int MinSD::iterate(int maxiter)
for (int iter = 0; iter < maxiter; iter++) {
if (timer->check_timeout(niter))
return TIMEOUT;
ntimestep = ++update->ntimestep;
niter++;