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feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Release v0.5.1
#201
prehner
closed
7 months ago
0
Update README for PC-SAFT parameters and add new binary record files
#200
prehner
closed
7 months ago
0
Question regarding the calculation of the ideal gas molar entropy
#199
LoGaL93
closed
8 months ago
2
Polarizable models?
#198
ianhbell
closed
8 months ago
2
Improve `Estimator` and `DataSet` objects
#197
g-bauer
opened
8 months ago
0
Add json parser for `Vec<PureRecords>`
#196
g-bauer
closed
9 months ago
0
Fix `from_multiple_json` when a substance appears in more than one file
#195
g-bauer
closed
9 months ago
0
Adjust Joback parameters to work with new ideal gas treatment
#194
g-bauer
closed
8 months ago
0
`Parameter::from_multiple_json` fails when components exist in multiple files
#193
prehner
closed
8 months ago
0
Can I use feos to plot pressure-density diagram of binary mixture?
#192
RayleighSun
closed
9 months ago
5
Create chemical record from SMILES using rdkit
#191
prehner
closed
9 months ago
0
Added parameter file from Esper et al
#190
g-bauer
closed
9 months ago
0
Go back to eigenvalue calculation in num_dual
#189
prehner
closed
9 months ago
0
Use rdkit from Rust to fragment SMILES
#188
prehner
closed
9 months ago
0
How to obtain the pressure of dispersive term and that of repulsive term
#187
sunshineonleaf
closed
10 months ago
3
Make f64 the default inner type for all quantities
#186
prehner
closed
10 months ago
0
PC-SAFT extensions on README
#185
ianhbell
opened
10 months ago
0
Helping bubble points and dew points at given pressure to converge
#184
LoGaL93
closed
10 months ago
2
Non integer number of segments for the homosegmented GC-PC-SAFT
#183
LoGaL93
closed
10 months ago
2
Fix FromSegmentsBinary for Joback
#182
prehner
closed
10 months ago
0
Compile-time checked units
#181
prehner
closed
11 months ago
0
Check gc_pcsaft_functional notebook
#180
g-bauer
closed
8 months ago
0
added derive for EntropyScaling trait for SAFT-VRQ Mie for ResidualModel
#179
g-bauer
closed
11 months ago
0
Release v0.5.0
#178
prehner
closed
8 months ago
0
Removes `MolarWeight` trait and moves `molar_weight` method to `Residual`
#177
g-bauer
closed
11 months ago
0
Non orthogonal dft
#176
prehner
closed
10 months ago
0
Add example notebook for adjustment of PC-SAFT parameters
#175
g-bauer
closed
8 months ago
0
Add option to provide phase description
#174
g-bauer
closed
12 months ago
0
Collection of breaking changes
#173
prehner
closed
1 year ago
0
Allow specification of phase in `DataSet` for dynamic properties for states that are generated for T,p
#172
g-bauer
closed
12 months ago
1
Serialization and documentation of binary association records
#171
prehner
closed
1 year ago
0
Collection of breaking changes
#170
prehner
closed
1 year ago
0
Optional binary records and new parameter constructor
#169
prehner
closed
1 year ago
0
Example on how to optimize parameters (m, sigma, epsilon_k) of PC-SAFT
#168
RayleighSun
closed
1 year ago
2
Implement binary association parameters
#167
prehner
closed
1 year ago
0
Fixes for the bubble and dew point calculations
#166
prehner
closed
1 year ago
0
Phase equilibria in pores
#165
prehner
closed
11 months ago
1
Revive PhaseEquilibrium::new_npt in the public interface
#164
prehner
closed
1 year ago
0
Performance improvements
#163
g-bauer
opened
1 year ago
0
Add citation file and readme section
#162
g-bauer
closed
1 year ago
0
Make constructors in Parameter trait fallible
#161
g-bauer
closed
1 year ago
1
Support for second order Feynman-Hibbs corrections using the SAFT-VRQ Mie EOS
#160
morteham
closed
1 year ago
2
Can I use this package to calculate the critical points of binary mixture?
#159
RayleighSun
closed
1 year ago
12
Revised handling of ideal gas contribution
#158
prehner
closed
1 year ago
0
Revive phi in hetero gc PC-SAFT
#157
prehner
closed
1 year ago
0
The specific heat capacity of an ideal gas
#156
fcyu0512
closed
1 year ago
5
DFT in non-orthogonal unit cells
#155
prehner
closed
1 year ago
0
Isenthalpic compressibility added to properties.
#154
RolfStierle
closed
1 year ago
4
Isenthalpic compressibility
#153
RolfStierle
closed
1 year ago
0
Release v0.4.3
#152
prehner
closed
1 year ago
0
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