Skip to content

Commit

Permalink
Merge pull request #215 from MineralsCloud/restyled/docs
Browse files Browse the repository at this point in the history
Restyled by prettier-markdown
  • Loading branch information
singularitti authored Apr 19, 2022
2 parents 7fecbd2 + af2a19b commit f9e23b1
Showing 1 changed file with 5 additions and 4 deletions.
9 changes: 5 additions & 4 deletions docs/src/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ Documentation for [Express](https://github.com/MineralsCloud/Express.jl).
## Package Features

`Express` is an extensible, high-throughput, high-level workflow framework that aims to
automate *ab initio* calculations for the materials science community. `Express` is shipped
automate _ab initio_ calculations for the materials science community. `Express` is shipped
with well-tested workflow templates, including structure optimization, equation of state
(EOS) fitting, phonon spectrum (lattice dynamics) calculation, and thermodynamic property
calculation in the framework of the quasi-harmonic approximation (QHA). It is designed to be
Expand Down Expand Up @@ -55,20 +55,20 @@ The direct components of `express` are:
properties obtained with the QHA workflow.

- [`Pseudopotentials.jl`](https://github.com/MineralsCloud/Pseudopotentials.jl) presents a
database for storing and querying pseudopotentials used in *ab initio* calculations.
database for storing and querying pseudopotentials used in _ab initio_ calculations.

- [`SimpleWorkflows.jl`](https://github.com/MineralsCloud/SimpleWorkflows.jl) is the
skeleton of the workflow system, which defines building blocks, composition rules, and
operation order of workflows.

The
[`QuantumESPRESSOExpress.jl`](https://github.com/MineralsCloud/QuantumESPRESSOExpress.jl) is
a special type of package called "plugin of `express`" for handling *ab initio* software
a special type of package called "plugin of `express`" for handling _ab initio_ software
such as Quantum ESPRESSO. Other plugins for other software are possible. The dependencies of
`QuantumESPRESSOExpress.jl` are listed below.

- [`AbInitioSoftwareBase.jl`](https://github.com/MineralsCloud/AbInitioSoftwareBase.jl)
provides a standard API for some popular *ab initio* software such as Quantum ESPRESSO.
provides a standard API for some popular _ab initio_ software such as Quantum ESPRESSO.

- [`QuantumESPRESSOBase.jl`](https://github.com/MineralsCloud/QuantumESPRESSOBase.jl)
declares basic data types and methods for manipulating crystal structures, generating
Expand Down Expand Up @@ -107,4 +107,5 @@ Depth = 5
### [Index](@id main-index)

```@index
```

0 comments on commit f9e23b1

Please sign in to comment.