dockonsurf / modules @ 2137c2de
Name | Size |
---|---|
add_adsorbate_euler+dissociation.py | 14.9 kB |
ase_Fe1_Fe2.py | 2.1 kB |
calculate_rmsd | 27.7 kB |
clustering.py | 962 Bytes |
fe_change.sh | 624 Bytes |
generation_conformeres.py | 4.5 kB |
launch_cp2k_molecule_seule.sh | 2.2 kB |
launch_script+diss.sh | 1.8 kB |
mol_to_xyz.sh | 960 Bytes |
recenter_only.py | 704 Bytes |
recenter_periodicity.py | 1.1 kB |
script_add_adsorbate+diss.sh | 2.8 kB |
script_grandes_molecules+diss.sh | 13.4 kB |
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