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Python |
10 |
Python scripts to postprocess Quantum Espresso calclations. |
May 04, 2022 |
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Shell |
2 |
Introduction to shell scripts and Quantum Espresso |
Apr 17, 2022 |
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Python |
8 |
Python tools for quantum chemical calculations |
Jul 15, 2022 |
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Jupyter Notebook |
13 |
Tutorials for Quantum Espresso |
May 15, 2023 |
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Python |
4 |
Python wrapper for Quantum Espresso with automated routines and plotting. |
Apr 17, 2022 |
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Python |
2 |
Repo for python code used to control Quantum ESPRESSO |
Apr 24, 2021 |
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Python |
19 |
ase interface for Quantum Espresso |
Jul 07, 2022 |
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Python |
5 |
AiiDAlab App for Quantum ESPRESSO |
Jan 27, 2023 |
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Python |
2 |
ASE interface for Quantum Espresso |
Apr 23, 2024 |
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Dockerfile |
2 |
Docker image recipe for Quantum ESPRESSO |
Dec 04, 2023 |
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Shell |
8 |
Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations. |
Aug 20, 2022 |
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Jupyter Notebook |
75 |
Python tools for analyzing both classical and quantum Bayesian Networks |
May 26, 2022 |
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R |
2 |
Some scripts for processing and analyzing molecular sequencing data |
May 26, 2017 |
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Python |
33 |
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations. |
Mar 19, 2023 |
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Python |
2 |
several supporting tools for Quantum-espresso and EPW calculation |
Mar 03, 2023 |
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Python |
45 |
The official AiiDA plugin for Quantum ESPRESSO |
Apr 24, 2023 |
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Python |
3 |
The AiiDA plugin for Quantum ESPRESSO Pinball. |
Nov 02, 2022 |
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HTML |
15 |
python toolbox for calculations related to quantum entanglement (including squashed entanglement) "Speak Quantum Friend and … |
Dec 30, 2022 |
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Python |
3 |
Automatic NVE simulation with Quantum Espresso and Aiida |
Apr 03, 2023 |
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Python |
7 |
python scripts for analyzing eeg data and behavior |
Feb 03, 2023 |
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Jupyter Notebook |
2 |
quantum espresso interface for pyiron based on ase |
Jun 08, 2022 |
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Python |
20 |
A set of useful tools for Quantum ESPRESSO |
Mar 22, 2023 |
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Jupyter Notebook |
28 |
New version of dft-book for Quantum Espresso |
Nov 14, 2022 |
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HTML |
9 |
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE). |
Apr 11, 2023 |
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Mathematica |
5 |
Mathematica package for quantum mechanics calculations |
Mar 03, 2023 |
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Python |
2 |
Optimize meshes for quantum chemistry calculations. |
Jan 29, 2023 |
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Python |
2 |
An open tool implementing some recommended practices for analyzing alchemical free energy calculations |
Apr 28, 2022 |
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Python |
2 |
Some Python code for analyzing Facebook groups |
Dec 19, 2018 |
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Jupyter Notebook |
2 |
Python scripts for analyzing Athena simulation data |
Jan 06, 2023 |
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Python |
2 |
AiiDA plugin for the Hubbard module of Quantum ESPRESSO |
Apr 19, 2022 |
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Rust |
2 |
chessboard for setting up puzzles and analyzing positions |
Oct 08, 2022 |
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Fortran |
18 |
Massively parallel software for quantum chemistry calculations |
May 11, 2022 |
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Python |
3 |
Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations. |
Mar 17, 2022 |
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R |
3 |
Code for some calculations and charts |
Jan 16, 2024 |
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Python |
2 |
Python scripts for analyzing tweet collected by TwitterGoggles |
Nov 15, 2015 |
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Python |
8 |
Simple python scripts for analyzing a GitHub organization |
Aug 27, 2022 |
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Python |
8 |
some python scripts for Stock and Funds |
Jun 25, 2022 |
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Python |
11 |
A python utilities to handle with atomic structures and interfacing with common formats (xyz and … |
Nov 28, 2022 |
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Fortran |
10 |
Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp. |
Jul 09, 2021 |
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Gnuplot |
10 |
Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response |
Apr 16, 2023 |
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Jupyter Notebook |
52 |
Notes and tutorials on density functional theory calculation using Quantum Espresso. |
May 10, 2023 |
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Python |
7 |
some python scripts |
Jul 24, 2021 |
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Python |
2 |
Some Python scripts |
Jun 09, 2014 |
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Python |
4 |
Python scripts for analyzing and processing files in a directory tree |
Jan 31, 2021 |
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Python |
2 |
Some Python scripts for pentesting |
Mar 27, 2023 |
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Shell |
10 |
Some tiny shell and python scripts. |
Dec 08, 2022 |
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Shell |
2 |
This is an auxiliary tool for sumpdos.x from Quantum ESPRESSO package |
Feb 05, 2022 |
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C++ |
3 |
Some tools for physics calculations |
Oct 02, 2017 |
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Jupyter Notebook |
6 |
Python notebooks and scripts to translate quantum optics formalism in open quantum system master equations |
Jun 14, 2023 |
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TypeScript |
11 |
Library for parsing and analyzing DOT scripts |
Oct 15, 2022 |