Alternatives and similar repositories for sportran:

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

• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated this week
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆45Updated this week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆62Updated last year
• ksaaskil / shc-python-tools
  Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
  ☆28Updated 3 years ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 6 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆45Updated this week
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆41Updated last month
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 2 weeks ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last year
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated 10 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• ulissigroup / vasp-interactive
  ☆66Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆43Updated 5 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆60Updated 11 months ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆21Updated 2 years ago
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆25Updated last month
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆47Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 6 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated 3 weeks ago
• potfit / potfit
  potfit force-matching code
  ☆34Updated last year
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆32Updated last year
• materials / mint
  Materials Interface: methods in computational materials science
  ☆26Updated 7 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆25Updated last year