Alternatives and similar repositories for kaldo:

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

• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆122Updated 4 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 7 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 3 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆34Updated this week
• ICAMS / python-ace
  ☆79Updated 4 months ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆49Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆89Updated last month
• oekosheri / GB_code
  A grain boundary generation code
  ☆64Updated last year
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆27Updated last week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆172Updated this week
• VASPsol / VASPsol
  ☆47Updated last year
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆24Updated 6 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆77Updated last week
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆60Updated last month
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆56Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆103Updated 10 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆54Updated 4 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆116Updated 3 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆77Updated 3 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated 11 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated last month
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆39Updated 2 months ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆128Updated 2 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated this week
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 4 months ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆148Updated 8 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last year