Alternatives and similar repositories for pyxaid-code:

Users that are interested in pyxaid-code are comparing it to the libraries listed below

• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆23Updated 2 months ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆30Updated 2 years ago
• pritampanda15 / wxDragon
  Automated DFT Input File Generator using wxDragon
  ☆14Updated last year
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• QijingZheng / phonon_angular_momentum
  ☆10Updated 2 years ago
• SCM-NV / nano-qmflows
  Package containing several workflows to compute molecular properties for nanomaterials
  ☆12Updated 10 months ago
• humeniuka / DFTBaby
  software package for tight-binding DFT calculations on ground and excited states of molecules
  ☆9Updated 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 2 years ago
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆22Updated 7 months ago
• QEF / postqe
  ☆17Updated last year
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆43Updated last month
• ttadano / alamode_tutorial
  Tutorial files for alamode
  ☆12Updated 9 months ago
• Quantum-Dynamics-Hub / pyxaid2
  ☆12Updated 7 years ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆26Updated last month
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆13Updated 2 weeks ago
• nguyen-group / QERaman
  A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
  ☆14Updated 4 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆24Updated 2 years ago
• lanl / NEXMD
  ☆30Updated last year
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 2 months ago
• sekocha / pypolymlp
  Generator of polynomial machine learning potentials
  ☆13Updated this week
• pernalk / GAMMCOR
  gammcor code
  ☆10Updated 2 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆39Updated last week
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• jbuckeridge / sc-fermi
  Calculates self-consistent Fermi level given defect formation energies and the density of states.
  ☆12Updated 5 years ago
• siesta-project / tutorials
  Tutorial material for hands-on sessions (work in progress)
  ☆24Updated 3 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• sozykinsa / GUI4dft
  GUI4dft - first free SIESTA oriented GUI
  ☆24Updated this week
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year