Tweaked one comment

2022-02-19 20:55:37 -07:00
parent 407df3127b
commit bc8d1e0f84
1 changed files with 4 additions and 2 deletions
--- a/src/EXTRA-COMPUTE/compute_born_matrix.cpp
+++ b/src/EXTRA-COMPUTE/compute_born_matrix.cpp
@ -592,9 +592,11 @@ void ComputeBornMatrix::update_virial()
 {
  int eflag = 0;

-  // NOTE: this may affect stress/atom output, untested
+  // this may not be completely general
+  // but it works for lj/cut and sw pair styles
+  // and compute stress/atom output is unaffected
  
-  int vflag = VIRIAL_PAIR; // Need to generalize this 
+  int vflag = VIRIAL_PAIR;

  if (force->pair) force->pair->compute(eflag, vflag);