simplified neighbor list copying to avoid possible same-timestep re-build issues

This commit is contained in:
Steve Plimpton
2017-01-19 17:01:15 -07:00
parent 3af4b3c28c
commit 9a299875da
21 changed files with 222 additions and 233 deletions

View File

@ -40,7 +40,8 @@ using namespace MathConst;
ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
rdfpair(NULL), nrdfpair(NULL), ilo(NULL), ihi(NULL), jlo(NULL), jhi(NULL),
hist(NULL), histall(NULL), typecount(NULL), icount(NULL), jcount(NULL), duplicates(NULL)
hist(NULL), histall(NULL), typecount(NULL), icount(NULL), jcount(NULL),
duplicates(NULL)
{
if (narg < 4 || (narg-4) % 2) error->all(FLERR,"Illegal compute rdf command");