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A
iodata\test\test_molekel.py
5 16 -
A
iodata\test\test_fchk.py
5 18 -
A
iodata\test\test_chgcar.py
4 9 -
A
iodata\test\test_gaussianlog.py
4 8 -
A
iodata\test\test_utils.py
3 2 -
A
iodata\test\test_charmm.py
2 6 -
A
iodata\test\test_wfx.py
2 18 -
A
docs\example_scripts\convert_fchk_xyz_traj_mod2.py
2 1 -
A
iodata\test\test_gamess.py
2 5 -
A
iodata\__main__.py
2 7 -
A
iodata\test\test_locpot.py
2 8 -
A
iodata\inputs\gaussian.py
2 8 -
A
iodata\inputs\orca.py
2 8 -
A
docs\conf.py
1 5 -
A
docs\example_scripts\test_scripts.py
1 1 -
A
iodata\test\test_sdf.py
1 8 -
A
iodata\test\test_gromacs.py
1 6 -
A
iodata\test\test_mol2.py
1 9 -
A
iodata\formats\locpot.py
1 7 -
A
docs\example_scripts\load_water_foo.py
 2 -