Alternatives and similar repositories for gpu-vasp-files

Users that are interested in gpu-vasp-files are comparing it to the libraries listed below

• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 8 months ago
• keeeto / Vasp-PV
  A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
  ☆23Updated 9 years ago
• potfit / potfit
  potfit force-matching code
  ☆41Updated last year
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆50Updated 6 years ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆39Updated 11 years ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆34Updated 9 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated this week
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 10 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated last month
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• bjmorgan / VASP-Utilities
  A collection of command line utilities for manipulating VASP input / outpu
  ☆25Updated 3 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆47Updated 7 years ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆68Updated last year
• jochym / qe-doc
  Docs and examples for Quantum-Espresso
  ☆16Updated 8 years ago
• lingtikong / phana
  ☆27Updated last year
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated this week
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Updated 2 years ago
• qboxcode / qbox-public
  Qbox public repository
  ☆36Updated 6 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆46Updated 4 months ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated last month