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:
v1.0.0tov1.6.1 - Dependencies:
Configurations.jlv0.3.0and aboveIsURL.jlv0.2.0and aboveJSON.jlv0.20.0and aboveMPICH_jll.jlv3.3and aboveTOML.jlv1.0and aboveYAML.jlv0.3.0and above
- OS: macOS, Linux, Windows, and FreeBSD
- Architecture: x86, x64, ARM
Manual Outline
Index
AbInitioSoftwareBase.Commands.CommandConfigAbInitioSoftwareBase.Commands.MpiexecConfigAbInitioSoftwareBase.Inputs.CardAbInitioSoftwareBase.Inputs.FormatConfigAbInitioSoftwareBase.Inputs.InputAbInitioSoftwareBase.Inputs.InputEntryAbInitioSoftwareBase.Inputs.NamelistAbInitioSoftwareBase.Commands.mpiexecAbInitioSoftwareBase.Inputs.asstringAbInitioSoftwareBase.Inputs.groupnameAbInitioSoftwareBase.Inputs.writetxtAbInitioSoftwareBase.loadAbInitioSoftwareBase.loadsAbInitioSoftwareBase.of_formatAbInitioSoftwareBase.save