Added check to prevent uphill moves in quadratic model, tweaked

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-19 22:17:39 +00:00
parent f85c3c05b8
commit dc80368475
1 changed files with 1 additions and 1 deletions
--- a/src/min_cg.cpp
+++ b/src/min_cg.cpp
@ -825,7 +825,7 @@ int MinCG::linemin_quadratic(int n, double *x, double *dir,

      de_ideal = -BACKTRACK_SLOPE*alpha0*fdotdirall;
      de = eng - eoriginal;
-      if (de <= de_ideal) {
+      if (de <= de_ideal || de_ideal >= -IDEAL_TOL) {
 	return 0;
      }