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ana_cont

Package for analytic continuation of many-body Green's functions

baryrat

A Python package for barycentric rational and polynomial interpolation and approximation.

block_aaa

Block-AAA: discrete rational least squares approximation

cap_scripts

Post-processing scripts for CAP calculations

jburkardt-f

Git Mirror of John Burkardt's great collection of FORTRAN 90 Software

libcint

general GTO integrals for quantum chemistry

matsikalab

Lab Website

mcmurchie-davidson

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

md-copy

Modified version of the McMurchie-Davidson code for Complex Absorbing Potential Calculations

misc

ml_basics

molecool47

nanogw_optimized

This code is built from the original NanoGW code written by M. Tiago. New experimental features (such as interpolative separable density fitting method) are added to accelerate calculations.

numgrid

Numerical integration grid for molecules.

omegamaxent

Omega MaxEnt : analytic continuation of numerical Matsubara data.

opencap

An open source program for the description of metastable electronic states in molecules.

pade_approximants

Perform analytical continuation using Pade approximants.

parallel-programming

programmingprojects

C++ Programming Tutorial in Chemistry

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

pyscf_tutorial

python_scripting_cms

Python Data and Scripting course for computational chemists

quick

QUICK: A GPU-enabled ab intio quantum chemistry software package

research-group-web

a template for research group sites

sample-codes

Sample codes for MolSSI application

spm

Sparse modeling tool for analytical continuation of imaginary-time Green's function

stab_scripts

trex47

Allan Lab website

trex47.github.io

tunnex

Tunneling in experiments (TUNNEX) is a free open-source program with an easy-to use graphical user interface (GUI) to simplify the process of WKB computations.