Alternatives and similar repositories for pscf-examples

Users that are interested in pscf-examples are comparing it to the libraries listed below

• evenmn / lammps-bulk-benchmark
  Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS
  ☆15Updated 2 years ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆17Updated 3 months ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 4 years ago
• sfalmo / NeuralDFT
  Neural functional theory for inhomogeneous fluids: Fundamentals and applications
  ☆8Updated 4 months ago
• Allen-Tildesley / corrections
  Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…
  ☆32Updated 2 years ago
• palmergroup / hmcwithlammps
  ☆14Updated 6 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆35Updated this week
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆25Updated last week
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆17Updated 11 months ago
• Chenghao-Wu / SMolSAT
  SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
  ☆14Updated 7 months ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆21Updated 2 months ago
• PabloPiaggi / Crystallization-of-IceIh
  Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…
  ☆10Updated 4 years ago
• NaveenKaliannan / EwaldSummation
  Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
  ☆17Updated 8 years ago
• noid-group / BOCS
  Bottom-up Open-source Coarse-graining Software
  ☆19Updated 11 months ago
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆18Updated 4 months ago
• BingqingCheng / MLP-highP-H
  ☆17Updated 4 years ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆23Updated last year
• gitesei / willard-chandler
  Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …
  ☆11Updated 5 years ago
• mkmat / Z1plus-code
  Supplementary scripts for Z1+ users
  ☆11Updated 3 months ago
• askeys / tutorials
  Computational Statistical Mechanics Tutorials
  ☆15Updated 12 years ago
• MathieuLeocmach / pyboo
  A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)
  ☆31Updated 7 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• nuwan-d / MD_model_JAM-21-1174
  Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
  ☆11Updated 4 years ago
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆19Updated 10 months ago
• VlachosGroup / Multiscale-KMC
  Kinetic Monte Carlo with multiple time scales and sensitivity analysis
  ☆28Updated 2 years ago
• deepmodeling / dpti
  A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
  ☆29Updated this week
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆19Updated 2 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 5 years ago