J. Emiliano Deustua (edeustua)

edeustua

Geek Repo

Company:@emptor

Location:Lima, Peru

Home Page:https://www.edeustua.xyz/

Twitter:@edeustuas

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J. Emiliano Deustua's repositories

wickedtree

A simple implementation of Wick's theorem using binary trees.

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cookbook

A cookbook with multiple sources of inspiration

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CMS-Python-DevOps

Python Module Development

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dotfiles

My dotfiles for Linux/Unix systems.

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hande

Open source stochastic quantum chemistry

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HFSzaboOstlund

Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry

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pfedu

A submission and visualization platform for CEM484 at MSU.

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libecpint

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

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msfdevops

Example repository for MSF bootcamp devops

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oop_design_pattern

This is a nice lecture on OOP design patterns

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psi4

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

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Quantum-Chemistry

Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various things

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quantum_espresso_conda

Quantum espresso conda recipes and build guide

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scientific_make

A tutorial on how to use make to drive scientific computations

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SEC

Package can be used to classify and characterize solvation environments based on all-atom MD simulations.

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slurmify

submit jobs to slurm with quick-and-dirty python

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wepy

Weighted Ensemble simulation framework in Python (Mirror of main private development repo. After the main release the development of the project will become public.)

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