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Eric Berquist (berquist)

berquist

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Company:Sandia National Laboratories

Location:Boston, MA

Home Page:https://mastodon.social/@triprotic

Github PK Tool:Github PK Tool

Organizations
algorithm-archivists
cclib
isi-nlp
isi-vista
LambrechtLab
ReScience
sstsimulator

Eric Berquist's repositories

pymolresponse

Molecular frequency-dependent response properties for arbitrary operators

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rchem

Ab initio quantum chemistry in Rust from scratch

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dotfiles

Personal configuration files for shell/program environments and emacs

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cclib

Parsers and algorithms for computational chemistry logfiles

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pyquante2

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.

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boys

Multiple algorithms for calculating the Boys function

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avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

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bessel-benchmarks

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cclib-data

Computational chemistry logfiles used as regression tests by cclib.

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DRAMsim3

DRAMsim3: a Cycle-accurate, Thermal-Capable DRAM Simulator

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eg

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Exdir.jl

Julia implementation of the Experimental Directory Structure (exdir) data format

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gc64-hmcsim

Hybrid Memory Cube Simulation & Research Infrastructure

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HighFive

HighFive - Header-only C++ HDF5 interface

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HybridSim

Simulator of a memory controller to connect DRAMSim and FlashDIMMSim into one unified memory

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modules

Modulefiles, usable by https://github.com/TACC/Lmod or http://modules.sourceforge.net/

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NVDIMMSim

A nonvolatile memory based DIMM simulator.

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pyquante2-build-debugging

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python_package_config

Personal config (like linting) files for Python projects

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renovatebot-tutorial

Renovate Bot Tutorial source

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RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).

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setuptools

Official project repository for the Setuptools build system

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spack

A flexible package manager designed to support multiple versions, configurations, platforms, and compilers.

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sst-build-conf

Scripts for configuring SST (core, elements) with different dependencies (Spack) and build systems (autotools, CMake)

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sst-core

SST Structural Simulation Toolkit Parallel Discrete Event Core and Services

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sst-sqe

SST Software Quality, Testing and Engineering Resources

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StorageComparison.jl

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test-issue-comment-api

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test-push-to-other-repo

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test-push-to-other-repo-target

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