Alternatives and similar repositories for ase_tools

Users that are interested in ase_tools are comparing it to the libraries listed below

• Asif-Iqbal-Bhatti / Script-to-extract-various-properties-from-VASP-OUTCAR-file
  Scripts to extract various properties from VASP OUTCAR file
  ☆12Updated 2 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆57Updated 9 months ago
• i-pi / tutorials-schools
  ☆18Updated 4 years ago
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated 4 months ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆60Updated 3 months ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆37Updated last year
• lanl / LAVA
  Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …
  ☆16Updated 3 years ago
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 9 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆14Updated 2 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆25Updated 2 years ago
• kbsezginel / lammps-data-file
  [UNMAINTAINED] Lammps data file creation
  ☆27Updated 7 years ago
• cndaqiang / Radial_Distribution_Function_rdf
  Radial Distribution Function(rdf) 镜像分布函数计算
  ☆15Updated 4 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated 2 weeks ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 4 years ago
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆23Updated 2 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆58Updated 10 months ago
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆39Updated 11 months ago
• SSlakeLabTiangong / 2019_workshop
  ☆15Updated 5 years ago
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 6 years ago
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆23Updated 11 months ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆34Updated 9 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 5 years ago
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆55Updated 6 years ago