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Shell |
2 |
Quantum ESPRESSO Debian Package |
Aug 16, 2022 |
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Jupyter Notebook |
13 |
Tutorials for Quantum Espresso |
May 15, 2023 |
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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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Fortran |
6 |
SIRIUS-enabled Quantum ESPRESSO |
Dec 14, 2022 |
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Dockerfile |
2 |
Docker image recipe for Quantum ESPRESSO |
Dec 04, 2023 |
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Fortran |
3 |
band unfolding using quantum espresso |
Jun 16, 2022 |
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Gnuplot |
6 |
Compatible with Quantum Espresso-5.4.0. |
Nov 21, 2022 |
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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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Python |
7 |
Projected Electronic Bands in Quantum Espresso |
Nov 08, 2022 |
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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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Gnuplot |
10 |
Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response |
Apr 16, 2023 |
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Python |
10 |
Python scripts to postprocess Quantum Espresso calclations. |
May 04, 2022 |
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None |
11 |
Demystify the undocumented Quantum ESPRESSO input/output |
Jun 13, 2021 |
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Shell |
2 |
Introduction to shell scripts and Quantum Espresso |
Apr 17, 2022 |
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C++ |
162 |
The ESPResSo package |
Aug 23, 2022 |
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C++ |
2 |
The ESPResSo package |
Sep 15, 2019 |
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Python |
2 |
Repo for python code used to control Quantum ESPRESSO |
Apr 24, 2021 |
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Python |
2 |
AiiDA plugin for the Hubbard module of Quantum ESPRESSO |
Apr 19, 2022 |
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Python |
2 |
several supporting tools for Quantum-espresso and EPW calculation |
Mar 03, 2023 |
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Python |
2 |
Auxiliary package for PMT analyses |
Aug 02, 2022 |
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JavaScript |
2 |
Penetration Auxiliary Tool |
Apr 05, 2020 |
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Python |
3 |
Automatic NVE simulation with Quantum Espresso and Aiida |
Apr 03, 2023 |
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Python |
9 |
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO |
Mar 08, 2023 |
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Python |
4 |
Python wrapper for Quantum Espresso with automated routines and plotting. |
Apr 17, 2022 |
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Julia |
2 |
A Julia wrapper of Quantum ESPRESSO commands with configurations |
Oct 25, 2021 |
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Jupyter Notebook |
4 |
Some python scripts for setting up and analyzing Quantum Espresso calculations. |
Mar 08, 2023 |
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JavaScript |
3 |
for WordPress theme develop auxiliary tool |
Nov 12, 2022 |
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Python |
3 |
Files for our auxiliary pyrosetta_colab_setup PyPI package |
Dec 26, 2022 |
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Fortran |
2 |
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO |
Nov 25, 2022 |
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Python |
105 |
An auxiliary tool for iot vulnerability hunter |
May 05, 2022 |
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Python |
2 |
General code to analyse the ACF.dat file from post-processing bader charge analysis of Quantum Espresso |
Nov 08, 2022 |
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R |
2 |
Auxiliary R package for assessment of JACUSA2 results |
Feb 15, 2023 |
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Fortran |
10 |
Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp. |
Jul 09, 2021 |
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None |
2 |
Patch to parallelize electron-phonon coupling calculation in Quantum Espresso software |
Feb 17, 2022 |
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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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C++ |
4 |
Tencent game hall Lianliankan auxiliary tool. |
Jan 29, 2020 |
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Mathematica |
5 |
Mathematica package for quantum mechanics calculations |
Mar 03, 2023 |
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Python |
12 |
AiiDA plugin for Quantum Package 2.0 |
Mar 07, 2022 |
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C# |
36 |
osu!macOS Agent - An auxiliary troubleshooting tool for osu! |
Jun 25, 2022 |
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JavaScript |
16 |
ALTER: Auxiliary Text Rewriting Tool for Natural Language Generation |
Apr 10, 2023 |
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TypeScript |
42 |
Quantum Tensors - NPM package for sparse matrix operations for quantum information and computing |
May 16, 2022 |
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OpenQASM |
9 |
Quantum software benchmarking tool |
Jul 25, 2022 |
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Python |
2 |
Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals |
May 12, 2024 |
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Python |
1279 |
The electronic structure package for quantum computers. |
Aug 23, 2022 |