xubwa / socutilsLinks
☆11Updated this week
Alternatives and similar repositories for socutils
Users that are interested in socutils are comparing it to the libraries listed below
Sorting:
- SOC integrals generator with atomic mean field approximation☆10Updated 2 weeks ago
- Correlation consistent Gaussian basis sets for solids☆23Updated this week
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Cornell-Holland Ab-initio Materials Package☆16Updated 9 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 11 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆19Updated last week
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- Set of tools for trexio files☆19Updated 2 months ago
- Dyson equation solvers for electron propagator methods☆10Updated last month
- public version of our general contraction code project☆11Updated 3 weeks ago
- An example to implement PBC SCF☆14Updated 6 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆24Updated 3 months ago
- ☆10Updated 3 months ago
- Pythonic electronic structure theory.☆17Updated last week
- Library for local orbital scaling correction (LOSC).☆16Updated 10 months ago
- QMC=Chem version 2☆19Updated last month
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- ☆11Updated 4 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated last week
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆15Updated 2 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 11 months ago
- Hartree-Fock Python☆18Updated 2 years ago