SALMON 2.0.0 Development Repository
☆18Sep 16, 2026Updated this week
Alternatives and similar repositories for SALMON2
Users that are interested in SALMON2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The main branch of the Pyxaid code☆12May 12, 2017Updated 9 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- ☆13Jan 29, 2018Updated 8 years ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆16Updated this week
- Basic programs for generating Slater-Koster files for the DFTB-method☆31Feb 6, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆14Sep 9, 2026Updated last week
- ☆11Aug 25, 2023Updated 3 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated this week
- A place to store information for the tensor discussions and possible specifications.☆24Jun 17, 2026Updated 3 months ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆50May 31, 2024Updated 2 years ago
- Massively parallel software for quantum chemistry calculations☆18Sep 12, 2026Updated last week
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 7 months ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 6 years ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 7 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- The INTEGRAL library provides routines for the integration of functions of various types. Additionally, the INTEGRAL library provides ro…☆17Apr 25, 2023Updated 3 years ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆12Sep 10, 2023Updated 3 years ago
- Data and scripts for comprehensive benchmark of conformer relative energies☆25Jul 9, 2020Updated 6 years ago
- This is obsolete. Use this:☆21Aug 6, 2016Updated 10 years ago
- WEST code☆36Aug 29, 2026Updated 3 weeks ago
- This is an old archived repository that we keep for our records. Please use recent GENESIS repository and do not use this one.☆11Sep 15, 2022Updated 4 years ago
- calculate set voronoi diagrams☆10Oct 24, 2019Updated 6 years ago
- ☆12Feb 23, 2016Updated 10 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 6 months ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 8 months ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆13May 13, 2019Updated 7 years ago
- ☆16May 17, 2018Updated 8 years ago
- Code for Fermilab LDRD 2020-050 "Numerical Integration on GPUs", implementing the CUHRE routine for GPUs.☆15Feb 9, 2024Updated 2 years ago
- ☆30Nov 5, 2025Updated 10 months ago
- MaRe leverages the power of Docker and Spark to run and scale your serial tools in MapReduce fashion.☆14Apr 12, 2022Updated 4 years ago
- Real-time TDDFT for Quantum-Espresso☆26Aug 31, 2026Updated 3 weeks ago
- Library first implementation of the D3 dispersion correction☆87Sep 11, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Electronic structure calculations using Julia☆14Dec 7, 2021Updated 4 years ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Developer repository for ViennaGrid. Visit http://viennagrid.sourceforge.net/ for the latest releases.☆16May 4, 2022Updated 4 years ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆29Sep 11, 2026Updated last week
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆30Mar 7, 2025Updated last year
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- A place to collaborate on proposals for the next Fortran standard☆21Jul 30, 2017Updated 9 years ago