thehackerwithin / PyTrieste
☆88Updated 12 years ago
Related projects: ⓘ
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆20Updated this week
- Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers☆15Updated 8 years ago
- Finite difference weights for any derivative order on arbitrarily spaced grids. C89, C++ and Fortran 90 implementations with Python bindi…☆38Updated 3 months ago
- Hartree Fock solver☆26Updated 6 years ago
- Library for Green’s function based electronic structure theory calculations☆19Updated this week
- Book on Chemical Reactions and Dynamical Systems☆13Updated last year
- Python wrapper generator for Fortran☆32Updated last month
- A resource for use of numerical physics with Python, covering many topics in physics.☆36Updated last year
- MultiResolution Chemistry☆27Updated last month
- A generic implementation of tensor einsum in Fortran.☆25Updated 3 years ago
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆64Updated last year
- Compilation of libraries and applications made easy☆11Updated 2 weeks ago
- SciPy fixes and extensions☆18Updated 2 years ago
- Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells☆13Updated 8 years ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- Simple, parallel, object-oriented Fortran neural network☆20Updated 5 years ago
- This is a python module for automating Raman calculations using GAMESS(us).☆9Updated 3 years ago
- Sarkas Python MD suite for Dense Plasmas Physics☆14Updated 2 months ago
- ☆19Updated last year
- Python binding for odeiv2 interface from GNU Scientific Library (GSL)☆14Updated 3 months ago
- simple visualization of molecules in python☆14Updated last year
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆29Updated 4 months ago
- Main ESPResSo++ repository☆44Updated last week
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆17Updated 4 years ago
- Tensor Algebra for many-body methods☆14Updated last week
- This is a mirror. Please check our main website on gitlab.☆22Updated last week
- a python extension build system (with Cython support) which allows automated compilation a mixture of C, C++, FORTRAN and Cython sources …☆15Updated 9 years ago
- Repository for storing all files (TeX, PDF, Exercise and Example codes) for HPC Training on Fortran.☆14Updated 2 years ago
- MultiResolution Computation Program Package☆12Updated 2 weeks ago
- Hands-on material for the SC19 tutorial, Deep Learning at Scale☆17Updated 4 years ago