nickirk / pymesLinks
PyMES is a package for developing new methods in quantum chemistry.
☆13Updated 4 months ago
Alternatives and similar repositories for pymes
Users that are interested in pymes are comparing it to the libraries listed below
Sorting:
- Software package to handle the many-fermionic operator☆16Updated 12 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 8 months ago
- A Python package for wave function-based quantum embedding☆35Updated last week
- A library of density matrix embedding theory (DMET).☆36Updated 8 months ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆38Updated 2 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆88Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆57Updated 3 months ago
- ☆58Updated 3 months ago
- pyblock3: an efficient python block-sparse tensor library☆28Updated last month
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆11Updated last year
- Correlation consistent Gaussian basis sets for solids☆23Updated 4 months ago
- ☆11Updated 7 months ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆33Updated 7 months ago
- ☆51Updated last month
- adcc: Seamlessly connect your program to ADC☆37Updated last week
- Quantum Chemistry Course @ BNU2021☆22Updated 3 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated last month
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- Automatic equation of motion coupled cluster generator☆16Updated 2 years ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆10Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 5 months ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Updated last year
- ☆59Updated 3 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆49Updated 2 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆44Updated 3 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Updated 2 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago