ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2607 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-02-27 21:23:34 +00:00
parent 93ee4c224d
commit 6da13380d3
4 changed files with 56 additions and 45 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/min_sd.cpp
View File

@ -23,7 +23,9 @@ using namespace LAMMPS_NS;
#define EPS_ENERGY 1.0e-8
enum{FAIL,MAXITER,MAXEVAL,ETOL,FTOL}; // same as in other min classes
// same as in other min classes
enum{MAXITER,MAXEVAL,ETOL,FTOL,DOWNHILL,ZEROALPHA,ZEROFORCE,ZEROQUAD};
/* ---------------------------------------------------------------------- */
@ -58,7 +60,7 @@ int MinSD::iterate(int n)
eprevious = ecurrent;
if (ndof) x = atom->x[0];
fail = (this->*linemin)(ndof,x,h,x0,ecurrent,dmax,alpha_final,neval);
if (fail) return FAIL;
if (fail) return fail;
// function evaluation criterion