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Enable empirical potentials
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mfherbst committed Dec 20, 2024
1 parent f87dd6a commit 08eed79
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Showing 2 changed files with 5 additions and 9 deletions.
1 change: 1 addition & 0 deletions docs/Project.toml
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@ AtomsCalculators = "a3e0e189-c65a-42c1-833c-339540406eb1"
AtomsIO = "1692102d-eeb4-4df9-807b-c9517f998d44"
DFTK = "acf6eb54-70d9-11e9-0013-234b7a5f5337"
Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
EmpiricalPotentials = "38527215-9240-4c91-a638-d4250620c9e2"
GeometryOptimization = "673bf261-a53d-43b9-876f-d3c1fc8329c2"
LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
OptimizationNLopt = "4e6fcdb7-1186-4e1f-a706-475e75c168bb"
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13 changes: 4 additions & 9 deletions docs/src/examples/tial_lj.md
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Expand Up @@ -3,8 +3,7 @@
TODO Write some text motivating this example

Setup system:
```julia
## TODO: Should run as @example once EmpiricalPotentials is compatible with AB 0.5
```@example tial
using AtomsIO
using EmpiricalPotentials
Expand All @@ -13,8 +12,7 @@ nothing
```

Setup calculator:
```julia
## TODO: Should run as @example once EmpiricalPotentials is compatible with AB 0.5
```@example tial
using Unitful
using UnitfulAtomic
Expand All @@ -23,8 +21,7 @@ nothing
```

Minimise energy:
```julia
## TODO: Should run as @example once EmpiricalPotentials is compatible with AB 0.5
```@example tial
using GeometryOptimization
GO = GeometryOptimization
Expand All @@ -33,8 +30,6 @@ results.energy
```

Final structure:
```julia
## TODO: Should run as @example once EmpiricalPotentials is compatible with AB 0.5

```@example tial
results.system
```

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