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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1746 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-04-14 22:13:25 +00:00
parent 29c80c6146
commit 89bddb0624
2 changed files with 6 additions and 5 deletions
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4
src/min_sd.cpp
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@ -21,7 +21,7 @@
using namespace LAMMPS_NS;
#define EPS 1.0e-8
#define EPS_ENERGY 1.0e-8
enum{FAIL,MAXITER,MAXEVAL,ETOL,FTOL}; // same as in other min classes
@ -62,7 +62,7 @@ int MinSD::iterate(int n)
// energy tolerance criterion
if (fabs(ecurrent-eprevious) <=
update->etol * 0.5*(fabs(ecurrent) + fabs(eprevious) + EPS))
update->etol * 0.5*(fabs(ecurrent) + fabs(eprevious) + EPS_ENERGY))
return ETOL;
// force tolerance criterion