loriab

pylibefp

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

artifacts

posters and presentations

h5cpp

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

sphinx

Main repository for the Sphinx documentation builder

adcc-feedstock

A conda-smithy repository for adcc.

admin-requests

ambit

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

ambit-feedstock

A conda-smithy repository for ambit.

anaconda-client

Anaconda Server Client

cerf-feedstock

A conda-smithy repository for cerf.

dkh-feedstock

A conda-smithy repository for dkh.

feedstock-outputs

registry of feedstock outputs

gdma-feedstock

A conda-smithy repository for gdma.

geoip2-feedstock

A conda-smithy repository for geoip2.

libcerf

libecpint

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

libecpint-feedstock

A conda-smithy repository for libecpint.

libefp-feedstock

A conda-smithy repository for libefp.

libtensor

C++ library for tensor computations

libtensorlight-feedstock

A conda-smithy repository for libtensorlight.

libxc-feedstock

A conda-smithy repository for libxc.

maxminddb-feedstock

A conda-smithy repository for maxminddb.

mongo_qcdb

A QCDB repository based on MongoDB

pcmsolver

An API for the Polarizable Continuum Model

pyddx-feedstock

A conda-smithy repository for pyddx.

qcarchive-sphinx-theme

A sphinx theme for all QCArchive documentation.

QCEngineRecords

A collection of input and output files for QCEngine parsers.

qcfractal-feedstock

A conda-smithy repository for qcfractal.

scipy-2022-swag

attempt at swag design for scipy 2022

v2rdm_casscf

A variational 2-RDM-driven CASSCF plugin to Psi4