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Diamond
Aiida
libraries
aiida-numodis
Commits
001f6a6c
Commit
001f6a6c
authored
2 months ago
by
Jonathan Daubin
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update installation instructions
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001f6a6c
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@@ -8,13 +8,14 @@ This plugin contains 2 types of calculations:
-
`numodis.raw`
: Calculation making use of usual NUMODIS input files (
`data_files.xml`
).
-
`numodis.base`
: Calculation making use of parameter based input. (TODO)
It also includes 1 workflow:
-
`edgeloop2`
: 6 steps workflow using Numodis and
[
LAMMPS
](
https://www.lammps.org/
)
.
## Installation
Clone the repository and install the python package using pip:
```
shell
pip
install
aiida-numodis
git clone https://gricad-gitlab.univ-grenoble-alpes.fr/diamond/aiida/libraries/aiida-numodis.git
cd
aiida-numodis
pip
install
.
```
## Documentation
...
...
@@ -54,7 +55,6 @@ The plugin adds some commands to verdi to manipulate NUMODIS data. Explore them
verdi data --help
```
## Development
Contribution is very welcomed.
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