AbInitioSoftwareBase
AbInitioSoftwareBase.jl
is an interface package that defines some common API shared by some packages that represent different ab initio software like Quantum ESPRESSO, VASP, etc. The API will be extended in QuantumESPRESSOBase.jl
, etc.
The code is hosted on GitHub, with some continuous integration services to test its validity.
This repository is created and maintained by singularitti. You are very welcome to contribute.
Compatibility
- Julia version:
v1.0.0
tov1.6.1
- Dependencies:
Configurations.jl
v0.3.0
and aboveIsURL.jl
v0.2.0
and aboveJSON.jl
v0.20.0
and aboveMPICH_jll.jl
v3.3
and aboveTOML.jl
v1.0
and aboveYAML.jl
v0.3.0
and abovePreferences.jl
v1.0.0
and above
- OS: macOS, Linux, Windows, and FreeBSD
- Architecture: x86, x64, ARM
Manual Outline
Index
AbInitioSoftwareBase.Card
AbInitioSoftwareBase.Commands.CommandConfig
AbInitioSoftwareBase.FormatConfig
AbInitioSoftwareBase.Input
AbInitioSoftwareBase.InputEntry
AbInitioSoftwareBase.Namelist
AbInitioSoftwareBase.Commands.mpiexec
AbInitioSoftwareBase.groupname
AbInitioSoftwareBase.load
AbInitioSoftwareBase.loads
AbInitioSoftwareBase.of_format
AbInitioSoftwareBase.save
AbInitioSoftwareBase.writetxt