Alternatives and similar repositories for gpu-vasp-files:

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

• potfit / potfit
  potfit force-matching code
  ☆34Updated 10 months ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆16Updated 6 months ago
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆38Updated 10 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆38Updated last month
• keeeto / Vasp-PV
  A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
  ☆22Updated 9 years ago
• QEF / benchmarks
  Benchmark calculations with Quantum Espresso
  ☆12Updated 3 months ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆33Updated 6 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆47Updated this week
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆24Updated 2 years ago
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆27Updated this week
• atztogo / cogue
  Crsytal simulation tools
  ☆10Updated 3 months ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆29Updated 8 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆23Updated 4 years ago
• bjmorgan / VASP-Utilities
  A collection of command line utilities for manipulating VASP input / outpu
  ☆25Updated 2 years ago
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆23Updated 6 years ago
• janberges / elphmod
  Python modules for electron–phonon models
  ☆29Updated last week
• qboxcode / qbox-public
  Qbox public repository
  ☆36Updated 5 months ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 7 months ago
• lingtikong / phana
  ☆27Updated 6 months ago
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆25Updated 9 years ago
• jeffwdoak / vasp_scripts
  Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
  ☆23Updated 7 years ago
• itamblyn / scripts
  ☆18Updated 6 years ago
• aiida-phonopy / aiida-phonopy
  Phonon for AiiDA
  ☆18Updated 7 months ago
• libnegf / libnegf
  ☆18Updated this week
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆13Updated 3 years ago
• Asif-Iqbal-Bhatti / Script-to-extract-various-properties-from-VASP-OUTCAR-file
  Scripts to extract various properties from VASP OUTCAR file
  ☆11Updated last year
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆36Updated this week
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆22Updated 8 years ago
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆23Updated this week