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Kurt A. O'Hearn's avatar
sPuReMD, PG-PuReMD: add control file keyword (include_polarization_energy) to...
Kurt A. O'Hearn authored 
sPuReMD, PG-PuReMD: add control file keyword (include_polarization_energy) to toggle polarization energy calcuation in ReaxFF.
768b7ad3
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Kurt A. O'Hearn's avatar 768b7ad3
History
Name Last commit Last update
..
cuda_allocate.cu
cuda_allocate.h
cuda_basic_comm.cu
cuda_basic_comm.h
cuda_bond_orders.cu
cuda_bond_orders.h
cuda_bonds.cu
cuda_bonds.h
cuda_box.cu
cuda_box.h
cuda_charges.cu
cuda_charges.h
cuda_copy.cu
cuda_copy.h
cuda_dense_lin_alg.cu
cuda_dense_lin_alg.h
cuda_environment.cu
cuda_environment.h
cuda_forces.cu
cuda_forces.h
cuda_helpers.h
cuda_hydrogen_bonds.cu
cuda_hydrogen_bonds.h
cuda_init_md.cu
cuda_init_md.h
cuda_integrate.cu
cuda_integrate.h
cuda_list.cu
cuda_list.h
cuda_lookup.cu
cuda_lookup.h
cuda_multi_body.cu
cuda_multi_body.h
cuda_neighbors.cu
cuda_neighbors.h
cuda_nonbonded.cu
cuda_nonbonded.h
cuda_post_evolve.cu
cuda_post_evolve.h
cuda_random.cu
cuda_random.h
cuda_reduction.cu
cuda_reduction.h
cuda_reset_tools.cu
cuda_reset_tools.h
cuda_spar_lin_alg.cu
cuda_spar_lin_alg.h
cuda_system_props.cu
cuda_system_props.h
cuda_torsion_angles.cu
cuda_torsion_angles.h
cuda_utils.cu
cuda_utils.h
cuda_valence_angles.cu
cuda_valence_angles.h
cuda_vector.h