provide keyword/value option to compute ackland/atom for selecting legacy or current variant of implementation

2018-05-06 19:21:37 -04:00
parent ecfe5c8373
commit c3588f08b7
3 changed files with 139 additions and 59 deletions
--- a/src/USER-MISC/compute_ackland_atom.h
+++ b/src/USER-MISC/compute_ackland_atom.h
@ -34,7 +34,7 @@ class ComputeAcklandAtom : public Compute {
  double memory_usage();

 private:
-  int nmax,maxneigh;
+  int nmax,maxneigh,legacy;
  double *distsq;
  int *nearest, *nearest_n0, *nearest_n1;
  double *structure;