ase/calculators (path) in projects: dports

Searched +path:ase +path:calculators (Results 1 – 25 of 97) sorted by relevance

/dports/science/py-ase/ase-3.22.0/ase/calculators/kim/
H A D	calculators.py
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A D	__init__.py
H A D	abinit.py
H A D	aims.py
H A D	amber.py
H A D	autodetect.py
H A D	calculator.py
H A D	checkpoint.py
H A D	demonnano.py
H A D	dftd3.py
H A D	elk.py
H A D	ff.py
H A D	fleur.py
H A D	acemolecule.py
H A D	acn.py
H A D	bond_polarizability.py
H A D	castep.py
H A D	combine_mm.py
H A D	counterions.py
H A D	dftb.py
H A D	dmol.py
H A D	excitation_list.py
H A D	exciting.py
H A D	gulp.py
H A D	interface.py