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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
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lib
History
Aditya Wibawa Sakti
d06df3d28f
modified gui
2 years ago
..
__pycache__
modified gui
2 years ago
cmmde_adsorbate.py
First launching
2 years ago
cmmde_array.py
First launching
2 years ago
cmmde_atoms.py
First launching
2 years ago
cmmde_bravais.py
First launching
2 years ago
cmmde_bulk.py
First launching
2 years ago
cmmde_cell.py
First launching
2 years ago
cmmde_clusterutil.py
First launching
2 years ago
cmmde_compounds.py
First launching
2 years ago
cmmde_cubic.py
First launching
2 years ago
cmmde_data.py
First launching
2 years ago
cmmde_dcdftb.py
First launching
2 years ago
cmmde_decahedron.py
First launching
2 years ago
cmmde_density.py
First launching
2 years ago
cmmde_dftb.py
First launching
2 years ago
cmmde_dock.py
First launching
2 years ago
cmmde_fit.py
First launching
2 years ago
cmmde_formats.py
First launching
2 years ago
cmmde_gen2poscar.py
First launching
2 years ago
cmmde_hexagonal.py
First launching
2 years ago
cmmde_hubbard.py
Fix the cmmde_solution
2 years ago
cmmde_icosahedron.py
First launching
2 years ago
cmmde_mass.py
First launching
2 years ago
cmmde_mdpro.py
First launching
2 years ago
cmmde_monoclinic.py
First launching
2 years ago
cmmde_msd_com.py
First launching
2 years ago
cmmde_nw.py
First launching
2 years ago
cmmde_octahedron.py
First launching
2 years ago
cmmde_orca.py
bug fix opt orca
2 years ago
cmmde_orthorhombic.py
First launching
2 years ago
cmmde_parallel.py
First launching
2 years ago
cmmde_qe.py
First launching
2 years ago
cmmde_rdf.py
First launching
2 years ago
cmmde_solution.py
Fix the cmmde_solution
2 years ago
cmmde_spacegroup.py
First launching
2 years ago
cmmde_stress.py
First launching
2 years ago
cmmde_surface.py
First launching
2 years ago
cmmde_surface_with_termination.py
First launching
2 years ago
cmmde_symbols.py
First launching
2 years ago
cmmde_tetragonal.py
First launching
2 years ago
cmmde_tetrahedron.py
First launching
2 years ago
cmmde_tools.py
First launching
2 years ago
cmmde_triclinic.py
First launching
2 years ago
cmmde_unit.py
First launching
2 years ago
cmmde_units.py
First launching
2 years ago
cmmde_utils.py
First launching
2 years ago
cmmde_xtb.py
modified README
2 years ago