GGCE

Numerically exact Green's functions for lattice polaron models, easily and efficiently

BSD-3-CLAUSE License

Stars

Ecosystems: Python

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Python realisation of Casino (QMC) program

Plot complex functions

Quick tools for materials chemistry

Python module for quantum chemistry

Combining Psi4 and Numpy for education and development.

Fitting for XPS (x-ray photoelectron spectra) (rewrite of schachmett/xpl)

Balboa computes Gaussian basis functions and their derivatives.

Efficient and stable Determinant Quantum Monte Carlo simulations in Python

manipulation on second quantization operators

Package to perform automatic bonding analysis with the program Lobster in the field of computatio...

A python toolset for calculating and adding salt concentration to solvated atomistic systems

Quantum Chemistry Laboratory package