Commits

History for

Commits on Jun 17, 2024

Add optional allocators
$g-bauer$ g-bauer
committed
9741df0

Commits on May 21, 2024

Release v0.7.0 (#246)
$prehner$ prehner
authored
e636242

Commits on May 15, 2024

Fixed unit bug in quantum prefactor (#243)
$g-bauer$ g-bauer
authored
e421ef5

Commits on May 2, 2024

additional check of length of experimental permittivity data > 0 (#242)
$lruebli$ $LisaNeumaier$
lruebli
and
LisaNeumaier
authored
2e9596e

Commits on Apr 22, 2024

Update PyO3 to 0.21 (#238)
$prehner$ prehner
authored
b78e80a

Commits on Apr 19, 2024

Commits on Apr 18, 2024

Implement SAFT-VR Mie equation of state (#237)
$g-bauer$ $prehner$
g-bauer
and
prehner
authored
1dc165a

Commits on Feb 26, 2024

Restructure `feos-core` (#226)
$g-bauer$ $prehner$
g-bauer
and
prehner
authored
150568d

Commits on Dec 18, 2023

Documentation fixes (#216)
$prehner$ prehner
authored
bd03fee
Re-export items of feos-core and feos-dft in feos (#212)
$prehner$ prehner
authored
b33931b
Add DIPPR correlations for c_p^ig (#211)
$prehner$ prehner
authored
0da3f50

Commits on Dec 7, 2023

PC-SAFT diffusion references according to erratum. (#208)
$RolfStierle$ RolfStierle
authored
39ef859

Commits on Nov 30, 2023

Commits on Nov 23, 2023

Update README for PC-SAFT parameters and add new binary record files (#200)
$prehner$ $g-bauer$
prehner
and
g-bauer
authored
b946c0e

Commits on Oct 20, 2023

Release v0.5.0 (#178)
$prehner$ prehner
authored
8627d79

Commits on Oct 15, 2023

Create chemical record from SMILES using rdkit (#191)
$prehner$ prehner
authored
0fc8bfa

Commits on Sep 4, 2023

Make f64 the default inner type for all quantities (#186)
$prehner$ prehner
authored
5c18ef0
Non orthogonal dft (#176)
$prehner$ prehner
authored
48ac358

Commits on Aug 7, 2023

Compile-time checked units (#181)
$prehner$ prehner
authored
abce022

Commits on Jul 27, 2023

added derive for EntropyScaling trait for SAFT-VRQ Mie for ResidualModel (#179)
$g-bauer$ g-bauer
authored
4f98554

Commits on Jul 26, 2023

Removes `MolarWeight` trait and moves `molar_weight` method to `Residual` (#177)
$g-bauer$ g-bauer
authored
57e30d8

Commits on Jul 17, 2023

Add option to provide phase description (#174)
$g-bauer$ g-bauer
authored
a21cb6c

Commits on Jul 14, 2023

Serialization and documentation of binary association records (#171)
$prehner$ prehner
committed
08bc5c1
Implement binary association parameters (#167)
$prehner$ prehner
committed
a2b9cd0
Revised handling of ideal gas contribution (#158)
$prehner$ $g-bauer$
prehner
and
g-bauer
committed
8b701df
Update num-dual dependency to 0.7 (#137)
$prehner$ prehner
committed
c42a197
Revive phi in hetero gc PC-SAFT (#157)
$prehner$ prehner
committed
5dfbdc2
Revised association contribution (#150)
$prehner$ prehner
committed
2587299

Commits on Jul 3, 2023

Support for second order Feynman-Hibbs corrections using the SAFT-VRQ Mie EOS (#160)
$morteham$ $g-bauer$
morteham
and
g-bauer
authored
144cfdd
Make constructors in Parameter trait fallible (#161)
$g-bauer$ $prehner$
g-bauer
and
prehner
authored
c4f32f2

Commits on Jan 28, 2023

Fix association contribution for some association schemes and improve performance (#129)
$prehner$ prehner
authored
4d9de46

Commits on Jan 27, 2023

Early return if vapor pressure data set is empty (#124)
$g-bauer$ g-bauer
authored
3514c2f