Ecosyste.ms: Packages
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juliahub.com "quantum-espresso" keyword
Pseudopotentials 0.8.1
A Julia package that provides operations of a database with pseudopotential datasets10 versions - Latest release: almost 2 years ago - 3 dependent packages - 1 stars on GitHub
QuantumESPRESSOFormatter 0.4.1
Format Quantum ESPRESSO input files26 versions - Latest release: 5 months ago - 1 dependent package - 1 stars on GitHub
QuantumESPRESSO 0.11.0
This package could handle the interaction with Quantum ESPRESSO software22 versions - Latest release: 6 months ago - 1 dependent package - 1 stars on GitHub
QuantumESPRESSOExpress 0.5.9
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO17 versions - Latest release: over 1 year ago - 1 dependent package - 0 stars on GitHub
QuantumESPRESSOBase 0.12.1
Provides basic data structures and helpful functions for manipulating structures, generating inpu...37 versions - Latest release: 5 months ago - 3 dependent packages - 13 stars on GitHub
QuantumESPRESSOParser 0.5.5
Parses the input/output files of Quantum ESPRESSO to extract data28 versions - Latest release: 6 months ago - 2 dependent packages - 1 stars on GitHub
Express 0.9.2
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for ...31 versions - Latest release: over 1 year ago - 2 dependent packages - 23 stars on GitHub
ExpressCommands 0.6.1
The command-line interface of Express.jl13 versions - Latest release: over 1 year ago - 0 stars on GitHub
QuantumESPRESSOCommands 0.7.3
A Julia wrapper of Quantum ESPRESSO commands with configurations20 versions - Latest release: 11 months ago - 1 dependent package - 3 stars on GitHub
ExpressBase 0.7.0
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for ...13 versions - Latest release: 7 months ago - 2 dependent packages - 1 stars on GitHub
Related Keywords
julia-package
10
materials-science
5
workflows
4
ab-initio-simulations
3
abinitio-simulations
3
physics
3
command-line-tool
2
geophysics
2
cli
1
parser
1
julia
1
reader
1
regular-expressions
1
plugin
1
ab-initio
1
solid-state-physics
1
wrapper-library
1
condensed-matter-physics
1
formatter
1
pseudopotentials
1
database
1