├── .gitignore ├── .gitmodules ├── LICENSE.md ├── README.md ├── examples ├── mpi-strongScaling.sh ├── mpi-weakScaling.sh └── pots ├── pots ├── Cu01.eam.alloy ├── Cu_u6.eam └── readme.txt ├── src-mpi ├── CoMD.c ├── CoMDTypes.h ├── Doxyfile ├── Makefile.EAM ├── Makefile.NAMD ├── README.TXT ├── cmdLineParser.c ├── cmdLineParser.h ├── constants.h ├── decomposition.c ├── decomposition.h ├── defines.h ├── eam.c ├── eam.h ├── generate_info_header ├── gpu_common.h ├── gpu_eam_cta_cell.h ├── gpu_eam_thread_atom.h ├── gpu_eam_warp_atom.h ├── gpu_kernels.cu ├── gpu_kernels.h ├── gpu_lj_cta_cell.h ├── gpu_lj_thread_atom.h ├── gpu_neighborList.c ├── gpu_neighborList.h ├── gpu_redistribute.h ├── gpu_reduce.h ├── gpu_scan.h ├── gpu_timestep.h ├── gpu_types.h ├── gpu_utility.c ├── gpu_utility.h ├── haloExchange.c ├── haloExchange.h ├── hashTable.c ├── hashTable.h ├── initAtoms.c ├── initAtoms.h ├── linkCells.c ├── linkCells.h ├── ljForce.c ├── ljForce.h ├── memUtils.h ├── mycommand.c ├── mycommand.h ├── mytype.c ├── mytype.h ├── neighborList.c ├── neighborList.h ├── parallel.c ├── parallel.h ├── performanceTimers.c ├── performanceTimers.h ├── random.c ├── random.h ├── timestep.c ├── timestep.h ├── yamlOutput.c └── yamlOutput.h ├── src-openmp ├── CoMD.c ├── CoMDTypes.h ├── Doxyfile ├── Makefile.vanilla ├── OpenMP.dox ├── README.TXT ├── cmdLineParser.c ├── cmdLineParser.h ├── constants.h ├── decomposition.c ├── decomposition.h ├── eam.c ├── eam.h ├── generate_info_header ├── haloExchange.c ├── haloExchange.h ├── initAtoms.c ├── initAtoms.h ├── linkCells.c ├── linkCells.h ├── ljForce.c ├── ljForce.h ├── memUtils.h ├── mycommand.c ├── mycommand.h ├── mytype.h ├── parallel.c ├── parallel.h ├── performanceTimers.c ├── performanceTimers.h ├── random.c ├── random.h ├── timestep.c ├── timestep.h ├── yamlOutput.c └── yamlOutput.h └── src-serial └── README.TXT /.gitignore: -------------------------------------------------------------------------------- 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