A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
 
 
 
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