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209 files changed
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lines changed- etc/lmp/tests
- CG_ChIMES_lmp_tests
- Example_explicit_D2
- LG_LoadBalance
- Single_point_tests
- configurations
- TurboChIMES_lmp_test
- example-Si+D2
- expected_output
- example-Turbo_ChIMES
- expected_output
- example-basic_HN3
- expected_output
- example-basic_carbon2.0
- expected_output
- example-coarsegrained
- expected_output
- example-fingerprint
- expected_output
- example-tabulate
- expected_output
- tmp
- example_files_carbon
- fingerprint_tests
- expected_output
- old_tests
- test_ev_tally_mb
- test_suite-CNP_hybrid_overlay_D2
- expected_output
- test_suite-NPT
- expected_output
- test_suite-NVE
- expected_output
- test_suite-NVT
- expected_output
- test_suite-ev_tally_mb
- expected_output
- test_suite-serial_calculator
- configurations
- lammps_input_files
- tests_for_lammps_update
- CNP_40Ang_2500GPa_8GPa_for_testing_package_extra_pair
- old_runs
- NPT
- NVE
- NVT
- chimes_parameter_files
- lammps_data_files
- long_simulation_with_neighbor_list_bin_0.5
- long_simulation_with_neighbor_list_bin_1.0
- long_simulation_with_neighbor_list_bin_2.0
- system_with_multi_element_types
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