git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7865 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-02-29 16:03:23 +00:00
parent 268a14f251
commit 3c613c4cf4
2 changed files with 14 additions and 13 deletions
--- a/src/KSPACE/pair_lj_cut_coul_long.cpp
+++ b/src/KSPACE/pair_lj_cut_coul_long.cpp
@ -51,6 +51,7 @@ PairLJCutCoulLong::PairLJCutCoulLong(LAMMPS *lmp) : Pair(lmp)
 {
  respa_enable = 1;
  ftable = NULL;
+  qdist = 0.0;
 }

 /* ---------------------------------------------------------------------- */
--- a/src/min_linesearch.cpp
+++ b/src/min_linesearch.cpp
@ -245,7 +245,7 @@ int MinLineSearch::linemin_backtrack(double eoriginal, double &alpha)
    }
  if (nextra_global) modify->min_store();

-  // Important diagnostic: test the gradient against energy
+  // important diagnostic: test the gradient against energy
  // double etmp;
  // double alphatmp = alphamax*1.0e-4;
  // etmp = alpha_step(alphatmp,1);