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Python |
45 |
The official AiiDA plugin for Quantum ESPRESSO |
Apr 24, 2023 |
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Python |
2 |
AiiDA plugin for the Hubbard module of Quantum ESPRESSO |
Apr 19, 2022 |
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Python |
3 |
Automatic NVE simulation with Quantum Espresso and Aiida |
Apr 03, 2023 |
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Python |
12 |
AiiDA plugin for Quantum Package 2.0 |
Mar 07, 2022 |
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Python |
2 |
AiiDA plugin for the Psi4 Quantum Chemistry package |
Mar 01, 2024 |
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Python |
7 |
AiiDA plugin for Gaussian quantum chemistry software |
Apr 14, 2023 |
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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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Shell |
2 |
Quantum ESPRESSO Debian Package |
Aug 16, 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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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 |
3 |
AiiDA plugin for the HyperQueue metascheduler. |
Jun 19, 2022 |
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Python |
7 |
AiiDA plugin for the Wannier90 code |
May 25, 2022 |
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JavaScript |
4 |
AiiDA plugin for the spirit code |
Jun 15, 2022 |
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Python |
4 |
AiiDA Plugin for ORCA |
Jul 29, 2022 |
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Python |
2 |
AiiDA plugin for NWChem |
Feb 13, 2023 |
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Python |
4 |
AiiDA plugin for zeo++ |
Jan 11, 2023 |
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Fortran |
2 |
BigDFT plugin for Aiida |
Dec 06, 2021 |
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Python |
15 |
LAMMPS plugin for AiiDA |
Jan 11, 2023 |
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Python |
3 |
AiiDA plugin for ASE |
Apr 14, 2024 |
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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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Python |
2 |
A GROMACS plugin for AiiDA |
May 22, 2023 |
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Python |
2 |
QMC=Chem plugin for AiiDA |
Mar 07, 2022 |
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Python |
2 |
AiiDA plugin for Supercell program |
Nov 10, 2023 |
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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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Objective-C |
17 |
Dash Plugin for Espresso |
Aug 05, 2022 |
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Python |
2 |
Repo for python code used to control Quantum ESPRESSO |
Apr 24, 2021 |
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Python |
2 |
several supporting tools for Quantum-espresso and EPW calculation |
Mar 03, 2023 |
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Python |
8 |
aiida-champ plugin to handle workflow of CHAMP using AiiDA. |
Mar 07, 2022 |
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Python |
5 |
A plugin for AiiDA, to run the CRYSTAL17 code |
Feb 03, 2021 |
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Python |
18 |
The CP2K plugin for the AiiDA workflow and provenance engine. |
Feb 18, 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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JavaScript |
58 |
Emmet plugin for Espresso editor |
Dec 21, 2022 |
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Python |
5 |
AiiDA data plugin for pandas DataFrame objects |
Apr 25, 2023 |
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Python |
5 |
AiiDA Plugin for Gaussian Basissets and Pseudopotentials |
Jan 21, 2022 |
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|
None |
4 |
AiiDA Plugin for Gaussian Basissets and Pseudopotentials |
Mar 07, 2022 |
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None |
2 |
AiiDA Plugin for Gaussian Basissets and Pseudopotentials |
Mar 07, 2022 |
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Julia |
2 |
A Julia wrapper of Quantum ESPRESSO commands with configurations |
Oct 25, 2021 |
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Shell |
2 |
This is an auxiliary tool for sumpdos.x from Quantum ESPRESSO package |
Feb 05, 2022 |