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Lori A. Burns (loriab)

loriab

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Company:Georgia Tech

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psi4

Lori A. Burns's repositories

anaconda-client

Anaconda Server Client

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basis_set_exchange-feedstock

A conda-smithy repository for basis_set_exchange.

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CMakeExtraUtils

Helpful CMake modules for project management and export

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conda-forge-pinning-feedstock

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

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CrystaLattE

Set of scripts to automate the calculation of crystal lattice energies.

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einsums

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

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einsums-feedstock

A conda-smithy repository for einsums.

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forte

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forte-feedstock

A conda-smithy repository for forte.

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libefp

Parallel implementation of the Effective Fragment Potential Method

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libint

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

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libint-feedstock

A conda-smithy repository for libint.

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libxc-feedstock

A conda-smithy repository for libxc.

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openorbital

Open Orbital Optimizer

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OpenOrbitalOptimizer

Open Orbital Optimizer

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optking

pyOptking: A Python version of the PSI4 geometry optimization program by R.A. King

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paper-figure-tools

Code to auotmatically generate thread tables

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pcmsolver-split-feedstock

A conda-smithy repository for pcmsolver-split.

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psi4

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

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psi4-feedstock

A conda-smithy repository for psi4.

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psicode-hugo-website

soon to be replacement for psicode.org

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QCElemental

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

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qcelemental-feedstock

A conda-smithy repository for qcelemental.

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QCEngine

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

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qcengine-feedstock

A conda-smithy repository for qcengine.

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QCEngineRecords

A collection of input and output files for QCEngine parsers.

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QCManyBody

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qcmanybody-feedstock

A conda-smithy repository for qcmanybody.

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scipy-2022-swag

attempt at swag design for scipy 2022

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staged-recipes

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

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