Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "quantum-espresso" keyword
aiida-quantumespresso.meta 4.0.1
The official AiiDA plugin for Quantum ESPRESSO3 versions - Latest release: over 1 year ago - 1 dependent repositories - 44 stars on GitHub
qe 6.7.0
QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure ca...5 versions - Latest release: over 3 years ago - 1 dependent package - 1 dependent repositories - 492 stars on GitHub
pslibrary 1.0.0
This directory contains a collection of input files for the ld1.x atomic code which is distribute...1 version - Latest release: over 3 years ago - 1 dependent repositories - 56 stars on GitHub
pwtools 1.2.3
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targete...5 versions - Latest release: over 2 years ago - 49 stars on GitHub
atomsk 0.11.2
Atomsk is an Open Source command-line program dedicated to the creation, manipulation, and conver...8 versions - Latest release: over 2 years ago - 129 stars on GitHub
ejplugins 0.11.1
parser plugins for the jsonextended package1 version - Latest release: about 5 years ago - 1 dependent package - 1 stars on GitHub
aiida-quantumespresso 4.0.1
The official AiiDA plugin for Quantum ESPRESSO3 versions - Latest release: over 1 year ago - 3 dependent packages - 44 stars on GitHub
koopmans-kcp 0.1.2
koopmans-kcp is an implementation of Koopmans functionals in Quantum ESPRESSO v4.1 with full orbi...1 version - Latest release: over 1 year ago - 0 stars on GitHub
aiida-quantumespresso.code 4.0.1
The official AiiDA plugin for Quantum ESPRESSO3 versions - Latest release: over 1 year ago - 1 dependent package - 44 stars on GitHub
Related Keywords
aiida
3
lammps
2
density-functional-theory
1
atomic-design
1
atomistic-simulations
1
cheminformatics
1
cif
1
crystal-builder
1
dislocation
1
file-conversion
1
gulp
1
materials-science
1
open-source
1
ovito
1
physics-simulation
1
polycrystal
1
science
1
siesta
1
vasp
1
crystal
1
parser-plugin
1
electronic-structure
1
koopmans-functionals
1
pseudopotentials
1
ase
1
cp2k
1
cpmd
1
kernel-regression
1
kernel-ridge-regression
1
molecular-dynamics
1
multivariate-regression
1
parameter-sweep
1
polynomial-regression
1
postprocessing
1
preprocessing
1
python
1
quasi-harmonic-approximation
1
radial-basis-function
1
radial-distribution-function
1
radial-pair-correlation-function
1
sqlite
1
ab-initio
1
atomeye
1