AtomTools
Collection of atom manupulation tools
name
- randString
- get_atoms_name
unit
unit module contains all unit transform function isncluding
- trans_length
- trans_abs_energy
- trans_energy
- trans_velocity
geo
geo module contains all frequenctly used geometry functions
- get_atoms_name
- get_atoms_size
basic measurements
- get_distance
- get_angle
- get_dihedral
matrix measurements
- get_distance_matrix
- get_contact_matrix
- dist_change_matrix
- freq_dist_change_matrix
- get_rotation_matrix
coordination transformation
- cartesian_to_zmatrix
- cartesian_to_spherical
- spherical_to_cartesian
- input_standard_pos_transform
file
file module process all file related with file
- get_file_content
- get_filename
- get_extension
filetype
- gaussian/gaussian-out/gaussian-fchk/gaussian-chk
- adf/adf-out
- POSCAR/vasprun.xml/CONTCAR/INCAR/POTCAR
- json
- sdf
TODOS
1 maintainer
Metadata
1 maintainer
Release files for atomtools 1.9.4
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| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| atomtools-1.9.4-py3-none-any.whl | Python 3 | none | any | Details for atomtools-1.9.4-py3-none-any.whl |
Release files / atomtools-1.9.4-py3-none-any.whl
| Download URL | atomtools-1.9.4-py3-none-any.whl |
|---|---|
| Size | 17.9 kB |
| Tags | Python 3 |
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twine/1.13.0 pkginfo/1.5.0.1 requests/2.23.0 setuptools/39.1.0 requests-toolbelt/0.9.1 tqdm/4.32.1 CPython/3.6.8
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