dmorse / pscfpp
Polymer Self-Consistent Field Theory (C++/CUDA version)
☆34Updated this week
Alternatives and similar repositories for pscfpp:
Users that are interested in pscfpp are comparing it to the libraries listed below
- ☆43Updated 4 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆37Updated 7 months ago
- ☆34Updated 3 weeks ago
- ☆37Updated 2 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆37Updated last week
- LAMMPS tutorials for both beginners and advanced users: the article☆21Updated 3 weeks ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆18Updated 2 years ago
- A collection of Python codes to calculate physical properties from molecular dynamics simulations.☆15Updated last week
- On-the-fly calculation of Transport Properties☆25Updated last year
- A Python/Fortran order parameter analysis library☆12Updated 4 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 8 months ago
- Personal functions for making Pyplot Python figures☆17Updated 7 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 2 years ago
- Jupyter notebook for an introduction to atomic-scale machine learning class☆13Updated last year
- A GROMACS implementation of the ClayFF force field☆35Updated 2 years ago
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)☆68Updated 5 months ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆51Updated 2 years ago
- Gromacs to Lammps simulation converter☆78Updated last year
- ☆12Updated 2 years ago
- CmuMD implementation for PLUMED2☆16Updated last year
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated 3 months ago
- Automatically exported from code.google.com/p/elba-lammps☆21Updated 9 years ago
- Tutorials on CP2K calculations☆51Updated 3 years ago
- ☆27Updated 2 years ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆33Updated this week
- The future of Packmol☆31Updated this week
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆17Updated 5 years ago
- ☆17Updated 2 years ago