├── .gitignore ├── CMakeLists.txt ├── LICENSE ├── Makefile ├── README.md ├── input ├── CMakeLists.txt ├── in.lj └── snap │ ├── CMakeLists.txt │ ├── Ta06A.snap │ ├── Ta06A.snapcoeff │ ├── Ta06A.snapparam │ ├── W.snapcoeff │ ├── W.snapparam │ ├── in.snap.Ta06A │ └── in.snap.W ├── scripts └── make_module_headers.bash └── src ├── CMakeLists.txt ├── Makefile ├── binning.cpp ├── binning.h ├── binning_types ├── CMakeLists.txt ├── binning_kksort.cpp └── binning_kksort.h ├── comm.cpp ├── comm.h ├── comm_types ├── CMakeLists.txt ├── comm_mpi.cpp ├── comm_mpi.h ├── comm_serial.cpp └── comm_serial.h ├── examinimd.cpp ├── examinimd.h ├── force.cpp ├── force.h ├── force_types ├── CMakeLists.txt ├── force_lj_cell.cpp ├── force_lj_cell.h ├── force_lj_idial_neigh.cpp ├── force_lj_idial_neigh.h ├── force_lj_idial_neigh_impl.h ├── force_lj_neigh.cpp ├── force_lj_neigh.h ├── force_lj_neigh_impl.h ├── force_snap_neigh.cpp ├── force_snap_neigh.h ├── force_snap_neigh_impl.h ├── sna.h └── sna_impl.hpp ├── input.cpp ├── input.h ├── integrator.cpp ├── integrator.h ├── integrator_nve.cpp ├── integrator_nve.h ├── main.cpp ├── math_extra.h ├── modules_binning.h ├── modules_comm.h ├── modules_force.h ├── modules_integrator.h ├── modules_neighbor.h ├── modules_property.h ├── neighbor.cpp ├── neighbor.h ├── neighbor_types ├── CMakeLists.txt ├── neighbor_2d.cpp ├── neighbor_2d.h ├── neighbor_csr.cpp ├── neighbor_csr.h ├── neighbor_csr_map_constr.cpp └── neighbor_csr_map_constr.h ├── property_kine.cpp ├── property_kine.h ├── property_pote.cpp ├── property_pote.h ├── property_temperature.cpp ├── property_temperature.h ├── system.cpp ├── system.h └── types.h /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ECP-copa/ExaMiniMD/HEAD/.gitignore -------------------------------------------------------------------------------- /CMakeLists.txt: -------------------------------------------------------------------------------- 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