Commits · 22fd087f86d271ab39a185383979f04a74beb99b · Sven Michael Pohl / teqp_fork_old

Aug 03, 2021
- Store the metadata in the model, and allow to get it back · 22fd087f
  Ian Bell authored 3 years ago
  
  22fd087f
- Check lengths for polynomial and exponential departure terms · 53fe120d
  Ian Bell authored 3 years ago
  
  53fe120d
Jul 29, 2021
- Remove old method for tweaking BIP · f1c4ff06
  Ian Bell authored 3 years ago
  
  f1c4ff06
- Generalize the building of mutants (breaking change!) · a634ba8b
  Ian Bell authored 3 years ago
  
  a634ba8b
Jul 22, 2021
- More informative error message · 5c2a89b7
  Ian Bell authored 3 years ago
  
  5c2a89b7
- Add Gaussian+Exponential terms · 90d47d94
  Ian Bell authored 3 years ago
  
  90d47d94
Jul 08, 2021
- Even less auto · 5ca0c4e4
  Ian Bell authored 3 years ago
  
  5ca0c4e4
Jul 06, 2021
- Add the derivs header (IWYU) · 397b669c
  Ian Bell authored 3 years ago
  
  397b669c
- Help the compiler with int types · 4ee4dbb3
  Ian Bell authored 3 years ago
  
  4ee4dbb3
- Move another pow · 1f98587d
  Ian Bell authored 3 years ago
  
  1f98587d
- Move pow functions to general header · e37255ea
  Ian Bell authored 3 years ago
  
  e37255ea
Jun 29, 2021
- Python interface gets setup.py and __version__ · 435cdd4a
  Ian Bell authored 3 years ago
  
  Python compilation working again
  435cdd4a
Jun 21, 2021
- Fix binaries without a departure function · 1e26995e
  Ian Bell authored 3 years ago
  
  1e26995e
Jun 18, 2021
- Fix error message · 13216020
  Ian Bell authored 3 years ago
  
  13216020
- Departure functions refactored and fixed · 9a518533
  Ian Bell authored 3 years ago
  
  9a518533
- Refactor EOS terms out into their own header file · 80588cec
  Ian Bell authored 3 years ago
  
  80588cec
- Add exponential contribution for pure fluids · 59f5355a
  Ian Bell authored 3 years ago
  
  59f5355a
- Allow for tracing from other pure fluid when non-analytic contribution is present · 9baa2773
  Ian Bell authored 3 years ago
  
  9baa2773
- Add missing headers for CPA · 2785efc3
  Ian Bell authored 3 years ago
  
  2785efc3
Jun 16, 2021
- Tidy up and check lengths of arrays of coefficients · 2a7cfcaa
  Ian Bell authored 3 years ago
  
  2a7cfcaa
- Skip components with mole fraction of exactly zero · 6c51ac0a
  Ian Bell authored 3 years ago
  
  6c51ac0a
- Fix GaoB by flipping sign on eta · fd652267
  Ian Bell authored 3 years ago
  
  fd652267
- Add GaoB and Lemmon2005 terms · 5514e6d1
  Ian Bell authored 3 years ago
  
  5514e6d1
- Convert to new structure for EOS terms; surprisingly quite a lot faster · d2518ebc
  Ian Bell authored 3 years ago
  
  d2518ebc
Jun 02, 2021
- Possible now also to modify Fij (though you can't fiddle with the departure function) · cf85ee07
  Ian Bell authored 3 years ago
  
  cf85ee07
May 21, 2021
- Break up pybind11 interface into separate compilation units (not as beneficial... · 0b9b7e62
  Ian Bell authored 3 years ago
  
  Break up pybind11 interface into separate compilation units (not as beneficial as hoped); still very slow
  0b9b7e62
May 20, 2021
- Add generic flags for multifluid factory · 66abfc40
  Ian Bell authored 3 years ago
  
  66abfc40
- More useful message if JSON path is invalid to fluid file · 98c57b61
  Ian Bell authored 3 years ago
  
  98c57b61
May 18, 2021
- Resolve ambiguity · 6c3fcfdb
  Ian Bell authored 3 years ago
  
  6c3fcfdb
- Can make tweaks to interaction parameters in Python · fa95f672
  Ian Bell authored 3 years ago
  
  fa95f672
May 13, 2021
- Long time coming, convert R to method taking mole fractions (sigh...) · b37d4b24
  Ian Bell authored 3 years ago
  
  b37d4b24
May 11, 2021
- Make multifluid even faster with more thoughtful parallelism · 9f932925
  Ian Bell authored 3 years ago
  
  9f932925
May 10, 2021
- Fix PC-SAFT · 95d81f33
  Ian Bell authored 3 years ago
  
  Check length of compositions, output type
  95d81f33
- Add missing header for van der Waals models · 9629055b
  Ian Bell authored 3 years ago
  
  9629055b
May 08, 2021
- Fix R_gas passing for CPA, and complex arguments · c28844e3
  Ian Bell authored 3 years ago
  
  c28844e3
May 07, 2021
- Add factory function for CPA · c5325588
  Ian Bell authored 3 years ago
  
  c5325588
May 04, 2021
- Fixed a few bugs with CPA · 6b6199ea
  Ian Bell authored 3 years ago
  
  needed a force eval, () needed to be moved
  6b6199ea
May 03, 2021
- Add CPA for pure fluids · 09120e12
  Ian Bell authored 3 years ago
  
  09120e12
Apr 27, 2021
- Add script for critical curves in multifluid, VLE routines, extrapolation from critical · 381bd3cc
  Ian Bell authored 3 years ago
  
  381bd3cc
Apr 14, 2021
- Extrapolation from critical point works! · 3f9561f4
  Ian Bell authored 3 years ago
  
  Method from Ulrich Deiters, superancillary from our new paper
  3f9561f4