Fixes issue from Feb 2021 GPU package update for tersoff styles using multiple types.

2021-04-18 01:40:33 -07:00
parent 288c0a8023
commit 3d5897c926
10 changed files with 28 additions and 79 deletions
--- a/lib/gpu/lal_tersoff.h
+++ b/lib/gpu/lal_tersoff.h
@ -73,7 +73,7 @@ class Tersoff : public BaseThree<numtyp, acctyp> {
  /// ts5.x = beta, ts5.y = powern, ts5.z = lam2, ts5.w = bigb
  UCL_D_Vec<numtyp4> ts5;

-  UCL_D_Vec<numtyp> cutsq_pair;
+  numtyp _cutsq_max;

  UCL_D_Vec<int> elem2param;
  UCL_D_Vec<int> map;