lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@216 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-01-12 16:00:28 +00:00
parent 2b2eef7310
commit 9c95030827
1 changed files with 4 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/min_cg.cpp
View File

@ -337,8 +337,10 @@ void MinCG::iterate(int n)
void MinCG::setup_vectors()
{
ndof = 3 * atom->nlocal;
g = ((FixMinimize *) modify->fix[ifix_minimize])->gradient[0];
h = ((FixMinimize *) modify->fix[ifix_minimize])->searchdir[0];
if (ndof) g = ((FixMinimize *) modify->fix[ifix_minimize])->gradient[0];
else g = NULL;
if (ndof) h = ((FixMinimize *) modify->fix[ifix_minimize])->searchdir[0];
else h = NULL;
}
/* ----------------------------------------------------------------------