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tamaswells / VASP_script

Useful scripts for VASP

Python 185 114 Updated Dec 28, 2021

kschmuck / NEB

nudge elastic band

Python 2 4 Updated Dec 14, 2018

Angel-Jia / VASP-script

Perl 117 63 Updated Feb 21, 2019

kyphd / interpolatePOSCAR

interpolate POSCAR for VASP NEB calculation

Python 5 1 Updated Aug 26, 2020

munrojm / DiSPy

Utility for applying the distortion symmetry method.

Python 28 8 Updated Feb 21, 2024

mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.

Python 76 19 Updated Feb 24, 2025

EvGeGr / MolStrucAnalysis

Analysis of molecular structure in terms of internal coordinates

Python 1 Updated Jul 15, 2020