Alternatives and similar repositories for lammps-USER-CONP2

Users that are interested in lammps-USER-CONP2 are comparing it to the libraries listed below

• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆62Updated 7 months ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆20Updated 8 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆44Updated 2 weeks ago
• mogroupumd / aimd
  ☆45Updated 7 years ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆78Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆70Updated last year
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆50Updated 3 months ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 2 years ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆41Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆42Updated last year
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆28Updated 2 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆39Updated last month
• bigd4 / PyNEP
  A python interface of NEP
  ☆68Updated 3 months ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆62Updated 4 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆90Updated 2 months ago
• materialyzeai / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 4 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• velocirobbie / make-graphitics
  ☆46Updated 5 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆50Updated 6 years ago
• SUNCAT-Center / CatHub
  Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.
  ☆35Updated 3 weeks ago
• Iourarum / GOPY
  ☆30Updated 3 years ago