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Shell |
2 |
Introduction to shell scripts and Quantum Espresso |
Apr 17, 2022 |
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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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Fortran |
6 |
SIRIUS-enabled Quantum ESPRESSO |
Dec 14, 2022 |
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Jupyter Notebook |
13 |
Tutorials for Quantum Espresso |
May 15, 2023 |
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Shell |
2 |
Quantum ESPRESSO Debian Package |
Aug 16, 2022 |
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Python |
2 |
Repo for python code used to control Quantum ESPRESSO |
Apr 24, 2021 |
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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 |
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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Python |
4 |
Python wrapper for Quantum Espresso with automated routines and plotting. |
Apr 17, 2022 |
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Python |
7 |
Projected Electronic Bands in Quantum Espresso |
Nov 08, 2022 |
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Dockerfile |
2 |
Docker image recipe for Quantum ESPRESSO |
Dec 04, 2023 |
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None |
11 |
Demystify the undocumented Quantum ESPRESSO input/output |
Jun 13, 2021 |
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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 |
3 |
Automatic NVE simulation with Quantum Espresso and Aiida |
Apr 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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Python |
9 |
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO |
Mar 08, 2023 |
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HTML |
9 |
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE). |
Apr 11, 2023 |
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Python |
2 |
AiiDA plugin for the Hubbard module of Quantum ESPRESSO |
Apr 19, 2022 |
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Julia |
2 |
A Julia wrapper of Quantum ESPRESSO commands with configurations |
Oct 25, 2021 |
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Python |
2 |
several supporting tools for Quantum-espresso and EPW calculation |
Mar 03, 2023 |
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Fortran |
2 |
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO |
Nov 25, 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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Shell |
2 |
This is an auxiliary tool for sumpdos.x from Quantum ESPRESSO package |
Feb 05, 2022 |
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None |
2 |
Patch to parallelize electron-phonon coupling calculation in Quantum Espresso software |
Feb 17, 2022 |
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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 |
11 |
A python utilities to handle with atomic structures and interfacing with common formats (xyz and … |
Nov 28, 2022 |
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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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Python |
2 |
Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals |
May 12, 2024 |
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Rust |
2 |
Postprocess and clean up compile_commands.json |
May 12, 2023 |
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Python |
2 |
A python script to postprocess Path Integral MD trajectory generated by LAMMPS. |
Dec 01, 2023 |
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C++ |
88 |
CatDark's Cel Shading with UE4 PostProcess |
Jan 31, 2024 |
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Python |
2 |
Python quantum circuit editor |
Aug 04, 2022 |
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Python |
47 |
Python quantum signal processing |
Apr 30, 2023 |
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Python |
19 |
Quantum Entanglement in Python |
May 11, 2023 |
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Python |
7 |
Various scripts for quantum chemistry (mainly ORCA) |
Jul 13, 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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C# |
4 |
XCode 4 project editor for Unity3D postprocess. |
Dec 06, 2018 |
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C# |
12 |
XCode 4 project editor for Unity3D postprocess. |
Apr 02, 2020 |
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C# |
3 |
XCode 4 project editor for Unity3D postprocess. |
Nov 19, 2015 |
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Rust |
2 |
FuriosaAI postprocess implementation used in MLPerf submission |
Feb 23, 2023 |
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C# |
12 |
XCode 4 project editor for Unity3D postprocess. |
Sep 09, 2020 |
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Python |
758 |
Python module for quantum chemistry |
Aug 21, 2022 |
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Python |
1266 |
QuTiP: Quantum Toolbox in Python |
Aug 04, 2022 |