MolSSI-Education / S2I2View external linksLinks
Code and other materials for the S2I2 Software Summer School
☆12Mar 11, 2017Updated 8 years ago
Alternatives and similar repositories for S2I2
Users that are interested in S2I2 are comparing it to the libraries listed below
Sorting:
- http://guyrt.github.io/2015-06-21-s2i2/☆30Jun 23, 2015Updated 10 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- optking: A molecular geometry optimization program☆26Aug 22, 2025Updated 5 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 2 years ago
- MolSSI Integral Reference Project☆29Feb 27, 2021Updated 4 years ago
- Argonne Leadership Computing Facility OpenCL tutorial☆10Aug 22, 2025Updated 5 months ago
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Distributed-memory, double-precision, polar decomposition (QDWH/ZOLO-PD) of a dense matrix, svd (QDWH/ZOLOPD-SVD) of a dense matrix☆15Jun 3, 2020Updated 5 years ago
- Aries Network Performance Counters Monitoring Library☆11Nov 19, 2020Updated 5 years ago
- PINY cleanup and new feature integration.☆13Dec 9, 2016Updated 9 years ago
- Damselfly Network Simulator☆10Nov 19, 2020Updated 5 years ago
- A set of lecture notes on path-integral quantum Monte Carlo☆14Nov 29, 2021Updated 4 years ago
- ☆11Jan 19, 2020Updated 6 years ago
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 4 years ago
- OpenMP GPU Accelerated Applications☆13Nov 20, 2025Updated 2 months ago
- Source of BLAS via BLIS☆13May 6, 2024Updated last year
- C library containing high resolution timer implementation for several platforms.☆10Oct 20, 2020Updated 5 years ago
- An example 2-node cluster with a slurm controller for running gromacs☆11Dec 5, 2016Updated 9 years ago
- The link to the website is at☆14Aug 12, 2015Updated 10 years ago
- Tmux plugin for handling Network Manager connection☆10Feb 12, 2020Updated 6 years ago
- Getting started docs, examples, tutorials, and use cases.☆11Jun 15, 2021Updated 4 years ago
- Geometrical Counter-Poise Correction☆13Nov 19, 2024Updated last year
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated this week
- Deoplete source for vim-minisnip☆12Mar 22, 2019Updated 6 years ago
- A power aware runtime☆11Dec 22, 2017Updated 8 years ago
- git-archive with recursive submodule support☆16Jul 13, 2025Updated 7 months ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated last year
- D BLAS header. Works with OpenBLAS.☆13Mar 20, 2023Updated 2 years ago
- FFTFPGA is an OpenCL based library for Fast Fourier Transformations for FPGAs. This repository provides OpenCL host code in the form of F…☆14Mar 31, 2022Updated 3 years ago
- An implementation of ARMCI using MPI one-sided communication (RMA)☆15Oct 28, 2025Updated 3 months ago
- PandaModels is the developing Julia package that contains supplementary data and codes to prepare pandapower networks in a compatible for…☆12Sep 21, 2025Updated 4 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- Simple LBM kernels for benchmarking and performance evaluation☆14Jun 6, 2018Updated 7 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆57Jan 10, 2026Updated last month
- rrc - Manage remote repository clones☆16Feb 6, 2026Updated last week
- An implementation of Simulated Annealing for FCEUX Lua Script to search NES input sequence automatically.☆20Jan 11, 2015Updated 11 years ago
- Collection of scripts to build PyTorch and the domain libraries from source.☆13Feb 4, 2026Updated last week
- Personal vim config☆14Aug 16, 2024Updated last year