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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-03-10 15:56:49 +00:00
parent 3d6ac732ad
commit 5e1d34a23d
32 changed files with 66 additions and 101 deletions
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src/min_linesearch.cpp
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@ -586,7 +586,7 @@ int MinLineSearch::linemin_forcezero(double eoriginal, double &alpha)
{
int i,m,n;
double fdothall,fdothme,hme,hmax,hmaxall;
double de_ideal,de;
double de;
double *xatom,*x0atom,*fatom,*hatom;
double alpha_max, alpha_init, alpha_del;
@ -884,7 +884,7 @@ double MinLineSearch::alpha_step(double alpha, int resetflag)
double MinLineSearch::compute_dir_deriv(double &ff)
{
int i,m,n;
double *xatom,*hatom, *fatom;
double *hatom, *fatom;
double dot[2],dotall[2];
double fh;