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Added check to prevent uphill moves in quadratic model, tweaked

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2009-03-19 22:17:39 +00:00
parent f85c3c05b8
commit dc80368475
1 changed files with 1 additions and 1 deletions
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src/min_cg.cpp
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@ -825,7 +825,7 @@ int MinCG::linemin_quadratic(int n, double *x, double *dir,
de_ideal = -BACKTRACK_SLOPE*alpha0*fdotdirall; de_ideal = -BACKTRACK_SLOPE*alpha0*fdotdirall;
de = eng - eoriginal; de = eng - eoriginal;
if (de <= de_ideal) { if (de <= de_ideal || de_ideal >= -IDEAL_TOL) {
return 0; return 0;
} }