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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2010-04-27 20:52:14 +00:00
parent 80ac665b3e
commit 58c1edd6c0
1 changed files with 2 additions and 2 deletions
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4
src/min_linesearch.cpp
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@ -409,7 +409,7 @@ int MinLineSearch::linemin_quadratic(double eoriginal, double &alpha,
// double alphatmp = alphamax*1.0e-4;
// etmp = alpha_step(alphatmp,1,nfunc);
// printf("alpha = %g dele = %g dele_force = %g err = %g\n",
// alphatmp,etmp-eoriginal,-alphatmp*fdothall,
// alphatmp,etmp-eoriginal,-alphatmp*fdothall,
// etmp-eoriginal+alphatmp*fdothall);
// alpha_step(0.0,1,nfunc);
@ -462,7 +462,7 @@ int MinLineSearch::linemin_quadratic(double eoriginal, double &alpha,
relerr = fabs(1.0-(0.5*(alpha-alphaprev)*(fh+fhprev)+ecurrent)/engprev);
alpha0 = alpha - (alpha-alphaprev)*fh/delfh;
if (relerr <= QUADRATIC_TOL && alpha0 > 0.0) {
if (relerr <= QUADRATIC_TOL && alpha0 > 0.0 && alpha0 < alphamax) {
ecurrent = alpha_step(alpha0,1,nfunc);
if (ecurrent < eoriginal) {
if (nextra_global) {