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Restructure feos-core #226

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Merged
g-bauer merged 20 commits into from
Feb 26, 2024
Merged

Restructure feos-core #226

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4ab68a9
PC SAFT done. Checking benches
g-bauer Feb 12, 2024
c87b261
Extracted d(T), benches are not faster
g-bauer Feb 12, 2024
17c0d85
Added user_defined impl
g-bauer Feb 13, 2024
2a793e6
Added ideal gas implementation to user_defined module
g-bauer Feb 14, 2024
240bcb1
Changes according to review, added SAFTVRQMie
g-bauer Feb 15, 2024
ce42df7
Refactored uv-theory
g-bauer Feb 15, 2024
dd5f8f6
Refactored PeTs
g-bauer Feb 15, 2024
2106da2
Refactored GC-PCSAFT
g-bauer Feb 15, 2024
f45378d
adjust dft
prehner Feb 16, 2024
0069688
Python fixes
prehner Feb 16, 2024
b4e0fc1
Removed VirialOrder from Python Interface, resolved deprecated method…
g-bauer Feb 19, 2024
0526e78
Add uvtheory to Cargo feature
g-bauer Feb 19, 2024
a2d1ebb
Updated maturin version, updated github actions, changed universal2 c…
g-bauer Feb 19, 2024
7714757
Updated uv-theory name change in Python doc
g-bauer Feb 19, 2024
9b95af7
cleanup
prehner Feb 22, 2024
399866e
checked Rust docs
prehner Feb 22, 2024
5ceb67a
Removed unchanged notebooks, pub keyword in density_iteration and add…
g-bauer Feb 26, 2024
5e2c5d5
Update to uvtheory notebook, added entries to changelogs
g-bauer Feb 26, 2024
2ce3d68
Remove unchanged notebooks
g-bauer Feb 26, 2024
56926a1
updated changelogs
prehner Feb 26, 2024
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Updated uv-theory name change in Python doc
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@g-bauer
g-bauer committed Feb 19, 2024
commit 77147571113ed3d75b2dc4836b6036e0a77164d3
10 changes: 5 additions & 5 deletions docs/api/uvtheory.md
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Original file line number Diff line number Diff line change
@@ -1,13 +1,13 @@
# `feos.uvtheory`

Utilities to build `UVParameters`.
Utilities to build `UVTheoryParameters`.

## Example

```python
from feos.uvtheory import UVParameters
from feos.uvtheory import UVTheoryParameters

parameters = UVParameters.from_json(['methane', 'ethane'], 'parameters.json')
parameters = UVTheoryParameters.from_json(['methane', 'ethane'], 'parameters.json')
```

## Data types
Expand All @@ -23,6 +23,6 @@ parameters = UVParameters.from_json(['methane', 'ethane'], 'parameters.json')
PureRecord
BinaryRecord
Perturbation
UVRecord
UVParameters
UVTheoryRecord
UVTheoryParameters
```