All: fix issue with pi bonds being incorrectly computed in bond orders. Patch...
All: fix issue with pi bonds being incorrectly computed in bond orders. Patch originally submitted to LAMMPS mailing list by Tomas Trnka, SCM (refer to Issue #837 on Github).
Showing
- PG-PuReMD/src/bond_orders.c 13 additions, 13 deletionsPG-PuReMD/src/bond_orders.c
- PG-PuReMD/src/cuda/cuda_bond_orders.cu 10 additions, 10 deletionsPG-PuReMD/src/cuda/cuda_bond_orders.cu
- PuReMD-GPU/src/bond_orders.c 13 additions, 13 deletionsPuReMD-GPU/src/bond_orders.c
- PuReMD-GPU/src/cuda_bond_orders.cu 13 additions, 13 deletionsPuReMD-GPU/src/cuda_bond_orders.cu
- PuReMD/src/bond_orders.c 13 additions, 13 deletionsPuReMD/src/bond_orders.c
- sPuReMD/src/bond_orders.c 13 additions, 13 deletionssPuReMD/src/bond_orders.c
Loading
Please register or sign in to comment