dmorse / pscfppLinks
Polymer Self-Consistent Field Theory (C++/CUDA version)
☆40Updated this week
Alternatives and similar repositories for pscfpp
Users that are interested in pscfpp are comparing it to the libraries listed below
Sorting:
- ☆51Updated this week
- ☆46Updated 5 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Updated 2 weeks ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- ☆18Updated 3 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆40Updated 4 months ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆46Updated 2 weeks ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆46Updated last week
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)☆78Updated 3 months ago
- ☆14Updated 6 years ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Updated 3 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Updated last year
- A GROMACS implementation of the ClayFF force field☆41Updated 3 years ago
- Automated reaction pathway search for gas-phase molecules☆60Updated 3 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 2 weeks ago
- MDAnalysis wrapper around Packmol☆37Updated 2 years ago
- Jupyter notebook for an introduction to atomic-scale machine learning class☆17Updated 2 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- ☆30Updated 3 years ago
- AutoTST: A framework to perform automated transition state theory calculations☆44Updated 3 weeks ago
- OpenMM plugin for simulating electrochemical systems☆21Updated last year
- ☆93Updated 3 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆50Updated 3 months ago
- Python Suite for Advanced General Ensemble Simulations☆97Updated last week
- ARC - Automatic Rate Calculator☆48Updated this week
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- CmuMD implementation for PLUMED2☆22Updated 2 years ago
- ☆17Updated 3 years ago
- Personal functions for making Pyplot Python figures☆20Updated last year
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Updated last year