atomtools 1.9.4
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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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