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CMMDE
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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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CMMDE/lib/__pycache__
Aditya Wibawa Sakti be5cb3dce0
add XTB1 to the DFTB+ module 		2 years ago
..
cmmde_array.cpython-39.pyc mod README 2 years ago
cmmde_atoms.cpython-39.pyc mod README 2 years ago
cmmde_bravais.cpython-39.pyc mod README 2 years ago
cmmde_bulk.cpython-39.pyc mod README 2 years ago
cmmde_cell.cpython-39.pyc mod README 2 years ago
cmmde_clusterutil.cpython-39.pyc mod README 2 years ago
cmmde_cubic.cpython-39.pyc mod README 2 years ago
cmmde_data.cpython-39.pyc mod README 2 years ago
cmmde_dcdftb.cpython-38.pyc mod README 2 years ago
cmmde_dcdftb.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_decahedron.cpython-39.pyc mod README 2 years ago
cmmde_dftb.cpython-38.pyc mod README 2 years ago
cmmde_dftb.cpython-39.pyc add XTB1 to the DFTB+ module 2 years ago
cmmde_dock.cpython-38.pyc mod README 2 years ago
cmmde_dock.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_formats.cpython-39.pyc mod README 2 years ago
cmmde_gen2poscar.cpython-39.pyc mod README 2 years ago
cmmde_hubbard.cpython-38.pyc mod README 2 years ago
cmmde_hubbard.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_icosahedron.cpython-39.pyc mod README 2 years ago
cmmde_mass.cpython-38.pyc mod README 2 years ago
cmmde_mass.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_mdpro.cpython-38.pyc mod README 2 years ago
cmmde_mdpro.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_msd_com.cpython-39.pyc mod README 2 years ago
cmmde_nw.cpython-38.pyc mod README 2 years ago
cmmde_nw.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_orca.cpython-38.pyc mod README 2 years ago
cmmde_orca.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_parallel.cpython-39.pyc mod README 2 years ago
cmmde_qe.cpython-38.pyc mod README 2 years ago
cmmde_qe.cpython-39.pyc added non-slurm calculations 2 years ago
cmmde_rdf.cpython-39.pyc mod README 2 years ago
cmmde_stress.cpython-39.pyc mod README 2 years ago
cmmde_surface.cpython-39.pyc mod README 2 years ago
cmmde_symbols.cpython-39.pyc mod README 2 years ago
cmmde_tetrahedron.cpython-39.pyc mod README 2 years ago
cmmde_tools.cpython-39.pyc mod README 2 years ago
cmmde_unit.cpython-39.pyc mod README 2 years ago
cmmde_units.cpython-39.pyc mod README 2 years ago
cmmde_utils.cpython-39.pyc mod README 2 years ago
cmmde_xtb.cpython-38.pyc mod README 2 years ago
cmmde_xtb.cpython-39.pyc added non-slurm calculations 2 years ago