pernalk / GAMMCOR
gammcor code
☆10Updated last month
Alternatives and similar repositories for GAMMCOR:
Users that are interested in GAMMCOR are comparing it to the libraries listed below
- Dyson equation solvers for electron propagator methods☆10Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 3 years ago
- 🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package☆8Updated 3 years ago
- A modular electronic structure theory code☆21Updated 6 years ago
- n2v: Density-to-potential Inversion Suite☆22Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated 8 months ago
- Automatic MR based on PySCF☆10Updated 2 weeks ago
- ☆14Updated 2 months ago
- Donostia Natural Orbital Functional Software☆19Updated 3 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆33Updated last month
- GMTKN test sets in python☆10Updated 3 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆29Updated 2 years ago
- Reusable DFT Grids for the Masses☆15Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- Electronegativity equilibration model for atomic partial charges☆15Updated last week
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…☆13Updated 3 months ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 2 weeks ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Pythonic electronic structure theory.☆15Updated this week
- Personal collection of scripts to handle FHI-aims calculations.☆11Updated 10 months ago
- optking: A molecular geometry optimization program☆23Updated last month
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated this week
- Tracking citations of atomistic simulation engines☆19Updated last week
- Geometrical Counter-Poise Correction☆11Updated 4 months ago
- Python-based implementation of electronic structure theories for simulating spectroscopic properties☆12Updated this week
- Automatic equation of motion coupled cluster generator☆16Updated last year
- Mathematica modules for electronic structure calculations☆27Updated last year