Fixed a bug with tersoff/gpu with building the short neighbor list

2020-07-03 23:55:26 -05:00
parent 558d2eb84f
commit 6de020805f
2 changed files with 10 additions and 11 deletions
--- a/lib/gpu/lal_tersoff.cpp
+++ b/lib/gpu/lal_tersoff.cpp
@ -250,10 +250,9 @@ void TersoffT::loop(const bool _eflag, const bool _vflag, const int evatom) {
                               (BX/this->_threads_per_atom)));

  this->k_short_nbor.set_size(GX,BX);
-  this->k_short_nbor.run(&this->atom->x, &cutsq, &map,
-                 &elem2param, &_nelements, &_nparams,
+  this->k_short_nbor.run(&this->atom->x, &elem2param, &_nelements, &_nparams,
                 &this->nbor->dev_nbor, &this->_nbor_data->begin(),
-                 &this->dev_short_nbor, &ainum,
+                 &this->dev_short_nbor, &_cutshortsq, &ainum,
                 &nbor_pitch, &this->_threads_per_atom);

  // re-allocate zetaij if necessary