Description:

atomtools 1.9.4

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

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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