Alternatives and similar repositories for cp2k-spm-tools:

Users that are interested in cp2k-spm-tools are comparing it to the libraries listed below

• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆25Updated 5 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 7 years ago
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆18Updated 7 years ago
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆17Updated 2 years ago
• velocirobbie / make-graphitics
  ☆42Updated 4 years ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 10 months ago
• i-pi / tutorials-schools
  ☆16Updated 3 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆19Updated this week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆23Updated last year
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated last week
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆39Updated last year
• qzhu2017 / RDF
  A code to compute the radial distribution function
  ☆20Updated 5 years ago
• ulissigroup / vasp-interactive
  ☆65Updated last year
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆13Updated last year
• mogroupumd / aimd
  ☆41Updated 6 years ago
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆21Updated this week
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆26Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆34Updated last week
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆23Updated 4 years ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated 7 months ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 4 months ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆37Updated last week
• kbsezginel / lammps-data-file
  [UNMAINTAINED] Lammps data file creation
  ☆25Updated 6 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆35Updated last week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆12Updated 3 years ago