issues
search
feos-org
/
feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
Other
115
stars
22
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Theory guide: properties
#100
prehner
closed
1 year ago
1
Theory guide: Properties
#99
prehner
closed
1 year ago
0
Add uv b3
#98
anreimer
closed
1 year ago
0
implementation uvb3-theory
#97
anreimer
closed
1 year ago
0
Use single function evaluation in the calculation of critical points
#96
prehner
closed
1 year ago
0
Add benchmarks for binary critical points
#95
prehner
closed
1 year ago
0
Add non-mixed second order derivatives to `State` property evaluation
#94
g-bauer
closed
1 year ago
1
Add second non-mixed derivative to `PartialDerivative` and `Dual2_64` to cache?
#93
g-bauer
closed
1 year ago
2
Fix Python compatible `StateHD<D>`s and respective dual numbers
#92
g-bauer
closed
1 year ago
2
FeOs: Defining parameters including kij for general fitting of cubic EoS
#91
ErichMace
closed
1 year ago
1
Export DQVariants in feos.pcsaft module, add documentation
#90
g-bauer
closed
1 year ago
0
Add benchmarks and Cargo profile using link-time optimization
#89
g-bauer
closed
1 year ago
0
Enforce the limitations of the homo gc method for PC-SAFT more strictly
#88
prehner
closed
1 year ago
0
Convergence problems with SAFT-VRQ-Mie in pores
#87
prehner
opened
1 year ago
0
Add `critical_temperature` argument to `VaporPressure` constructor
#86
g-bauer
closed
1 year ago
0
Export `DQVariants` to Python
#85
g-bauer
closed
1 year ago
0
Refine SAFT-VRQ-Mie functional
#84
prehner
closed
1 year ago
0
The matrix appears to be singular
#83
Felip-552
closed
1 year ago
8
Add example for `Estimator` and `DataSet` objects
#82
g-bauer
closed
10 months ago
1
Fix `pcsaft_phase_diagram` notebook
#81
g-bauer
opened
1 year ago
1
Missing Contributions objects from the feos.pcsaft module
#80
defencedog
closed
1 year ago
4
Implementation of SAFT-VRQ Mie EoS
#79
morteham
closed
1 year ago
3
Using the estimator tool
#78
marcosfelt
closed
1 year ago
3
Add benchmarks
#77
g-bauer
opened
1 year ago
2
Add more methods to SINumber
#76
marcosfelt
closed
1 year ago
3
Implement Newton DFT solver
#75
prehner
closed
1 year ago
1
Theory guide: DFT solvers
#74
prehner
closed
1 year ago
0
Speed up DFT calculations with vector dual numbers
#73
prehner
opened
1 year ago
1
Theory guide: PC-SAFT
#72
g-bauer
opened
1 year ago
0
Minor fixes in the documentation
#71
prehner
closed
1 year ago
0
Theory guide
#70
prehner
opened
1 year ago
2
New design for `DataSet` and `Estimator`
#69
g-bauer
opened
1 year ago
3
Difference in Molar Enthalpies between EoS and DFT
#68
RolfStierle
closed
1 year ago
2
Update notebooks
#67
g-bauer
closed
1 year ago
0
"Hello world" example doesn't run
#66
ianhbell
closed
10 months ago
3
Switch to autodiff?
#65
ianhbell
closed
1 year ago
23
Relative adsorption, interfacial enrichment, and interface thickness.
#64
RolfStierle
closed
1 year ago
1
Second order DFT solver
#63
prehner
closed
1 year ago
0
Rename 3d_dft feature to rayon
#62
prehner
closed
1 year ago
0
Update notebooks
#61
g-bauer
closed
1 year ago
0
Rewrite and document core DFT functionality
#60
prehner
closed
1 year ago
1
Hide AssociationRecord in PcSaftRecord::new
#59
prehner
closed
1 year ago
0
`DataSet` with no datapoints crash
#58
g-bauer
closed
1 year ago
0
Add Sync + Send to `EquationOfState` trait bounds
#57
g-bauer
closed
1 year ago
0
Changes needed for maturin >= 0.13
#56
g-bauer
closed
1 year ago
0
Release v0.3.0
#55
prehner
closed
1 year ago
0
Update description of feos crate in Rust guide
#54
prehner
closed
1 year ago
0
Update README
#53
prehner
closed
1 year ago
0
Reuse generic hard sphere implementation in PeTS model
#52
prehner
closed
1 year ago
0
Add new `3d_dft` feature to avoid `libc` dependency
#51
prehner
closed
1 year ago
0
Previous
Next