Giters
Lori A. Burns (loriab)

loriab

Geek Repo

80

followers

1

following

98

stars

Company:Georgia Tech

Github PK Tool:Github PK Tool

Organizations
psi4

Lori A. Burns's repositories

pylibefp

python wrapper to I. Kaliman's libefp for effective fragment potentials

Language:PythonLicense:BSD-3-ClauseStargazers:2Issues:4Issues:2

artifacts

posters and presentations

Stargazers:1Issues:2Issues:0

h5cpp

C++17 templates between [stl::vector | armadillo | eigen3 | ublas | blitz++] and HDF5 datasets

Language:C++License:NOASSERTIONStargazers:1Issues:1Issues:0

ambit

C++ library for the implementation of tensor product calculations through a clean, concise user interface.

Language:C++Stargazers:0Issues:3Issues:0

anaconda-client

Anaconda Server Client

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:2Issues:0

cerf-feedstock

A conda-smithy repository for cerf.

Language:ShellLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

conda-forge-pinning-feedstock

A conda-smithy repository for conda-forge-pinning.

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

dkh-feedstock

A conda-smithy repository for dkh.

Language:BatchfileLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

einsums

Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.

Language:CLicense:MITStargazers:0Issues:0Issues:0

libcerf

Stargazers:0Issues:2Issues:0

libecpint

A C++ library for the efficient evaluation of integrals over effective core potentials.

Language:C++License:MITStargazers:0Issues:2Issues:0

libecpint-feedstock

A conda-smithy repository for libecpint.

Language:ShellLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

libefp

Parallel implementation of the Effective Fragment Potential Method

Language:CLicense:NOASSERTIONStargazers:0Issues:3Issues:0

libefp-feedstock

A conda-smithy repository for libefp.

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

Language:C++License:NOASSERTIONStargazers:0Issues:3Issues:0

libint-feedstock

A conda-smithy repository for libint.

Language:ShellLicense:BSD-3-ClauseStargazers:0Issues:0Issues:0

libtensor

C++ library for tensor computations

Language:CLicense:BSL-1.0Stargazers:0Issues:1Issues:0

libxc-feedstock

A conda-smithy repository for libxc.

Language:ShellLicense:BSD-3-ClauseStargazers:0Issues:2Issues:0

mongo_qcdb

A QCDB repository based on MongoDB

Language:PythonLicense:GPL-3.0Stargazers:0Issues:3Issues:0

pcmsolver

An API for the Polarizable Continuum Model

Language:C++License:NOASSERTIONStargazers:0Issues:4Issues:0

pcmsolver-split-feedstock

A conda-smithy repository for pcmsolver-split.

Language:BatchfileLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

psi4

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

Language:C++License:LGPL-3.0Stargazers:0Issues:8Issues:0

psi4-feedstock

A conda-smithy repository for psi4.

Language:ShellLicense:BSD-3-ClauseStargazers:0Issues:1Issues:0

psicode-hugo-website

soon to be replacement for psicode.org

Language:HTMLStargazers:0Issues:3Issues:0

QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:2Issues:0

qcelemental-feedstock

A conda-smithy repository for qcelemental.

License:BSD-3-ClauseStargazers:0Issues:2Issues:0

QCEngine

A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:3Issues:0

qcengine-feedstock

A conda-smithy repository for qcengine.

License:BSD-3-ClauseStargazers:0Issues:2Issues:0

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

Language:PythonLicense:BSD-3-ClauseStargazers:0Issues:3Issues:0

v2rdm_casscf

A variational 2-RDM-driven CASSCF plugin to Psi4

Language:C++Stargazers:0Issues:3Issues:0