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Python |
141 |
Atomic Simulation Environment - mirror of https://gitlab.com/ase/ase |
May 03, 2023 |
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Python |
19 |
ase interface for Quantum Espresso |
Jul 07, 2022 |
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Python |
2 |
ASE interface for Quantum Espresso |
Apr 23, 2024 |
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Jupyter Notebook |
2 |
quantum espresso interface for pyiron based on ase |
Jun 08, 2022 |
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Python |
8 |
xcp2k is an module to combine CP2K into Atomic Simulation Environment (ASE) |
Jun 06, 2022 |
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HTML |
4 |
X3D for Atomic Simulation Environment |
Jan 04, 2023 |
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Python |
13 |
Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using … |
Jun 01, 2022 |
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Python |
15 |
Toolkit using the Atomistic Simulation Environment (ASE) |
Feb 02, 2023 |
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Julia |
21 |
Julia Bindings for Atomic Simulation Environment |
Dec 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 |
Examples for pyscal local atomic environment calculator |
Jan 22, 2021 |
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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 |
4 |
DFTB+ calculator for ASE |
Jun 23, 2022 |
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Jupyter Notebook |
13 |
Tutorials for Quantum Espresso |
May 15, 2023 |
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HTML |
21 |
Examples of using the Atomic Simulation Environment |
May 03, 2023 |
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Julia |
2 |
ASE-compatible calculator for DFTK |
Mar 23, 2023 |
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Python |
5 |
AiiDAlab App for Quantum ESPRESSO |
Jan 27, 2023 |
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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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Python |
2 |
Personal development version of the Atomic Simulation Environment |
Feb 09, 2023 |
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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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Python |
11 |
A python utilities to handle with atomic structures and interfacing with common formats (xyz and … |
Nov 28, 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 |
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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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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Rust |
8 |
Quantum Simulation Toolkit |
May 01, 2023 |
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Julia |
2 |
Simulation routines for quantum gates |
Jun 11, 2020 |
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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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C++ |
3 |
Atomic environment vector module |
Apr 15, 2024 |
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Python |
2 |
Quantum mechanics simulation library |
Feb 28, 2023 |
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Julia |
2 |
A Julia wrapper of Quantum ESPRESSO commands with configurations |
Oct 25, 2021 |
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Common Lisp |
4 |
Quantum computing simulation for Common Lisp |
Mar 18, 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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Jupyter Notebook |
4 |
Some python scripts for setting up and analyzing Quantum Espresso calculations. |
Mar 08, 2023 |
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Fortran |
2 |
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO |
Nov 25, 2022 |
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Python |
11 |
Quantum systems simulation with PyTorch. |
Mar 26, 2023 |
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Perl |
2 |
2D quantum square well simulation |
Feb 03, 2017 |
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Julia |
5 |
Automatic differentiable quantum circuit simulation. |
Jan 28, 2023 |
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Python |
3 |
A simulation platform for quantum communcation with a focus on quantum repeaters. |
May 08, 2023 |