jkitchin / jasp

Related projects ⓘ

Alternatives and complementary repositories for jasp

• atztogo / cogue
  Crsytal simulation tools
  ☆10Updated last month
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆37Updated 6 months ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆30Updated 7 months ago
• potfit / potfit
  potfit force-matching code
  ☆34Updated 9 months ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆20Updated last year
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆30Updated last year
• MDIL-SNU / AMP2
  ☆20Updated last year
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆26Updated 3 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• haidi-ustc / maptool
  Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
  ☆16Updated last year
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 6 years ago
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated 9 months ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆33Updated 4 months ago
• SMTG-Bham / galore
  Gaussian and Lorentzian smearing of simulated spectra
  ☆35Updated last month
• Chengcheng-Xiao / Periodic_NBO
  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 2 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 5 months ago
• gVallverdu / myScripts
  Script library mainly about chemical physics.
  ☆24Updated last week
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆55Updated last year
• jeffwdoak / vasp_scripts
  Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
  ☆22Updated 6 years ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆26Updated 7 months ago
• sozykinsa / GUI4dft
  GUI4dft - first free SIESTA oriented GUI
  ☆23Updated this week
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆20Updated last year
• dimonaks / siman
  Manager for first-principles calculations
  ☆17Updated 3 weeks ago
• Ionizing / wavecar_parser
  VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)
  ☆17Updated 2 years ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆25Updated 5 years ago
• materials / mint
  Materials Interface: methods in computational materials science
  ☆26Updated 7 years ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 4 years ago
• henniggroup / electronic-structure-visualization
  Visualizations
  ☆11Updated 2 years ago