Commits · 5b2e8a3c9920ab1edb5edda12240a655105a97be · Sven Michael Pohl / teqp_fork_old · GitLab

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Nov 03, 2022
- Start moving everything to the AbstractModel approach · fb22b331
  Ian Bell authored 2 years ago
  
  fb22b331
- Add all the Ar methods that were already exposed · c454cf85
  Ian Bell authored 2 years ago
  c454cf85
Nov 02, 2022
- Test and bench new methods · 59231380
  Ian Bell authored 2 years ago
  
  59231380
Nov 01, 2022
- Another round of optimizing the C++ interface layer · 5ac9c3f3
  Ian Bell authored 2 years ago
  5ac9c3f3
Oct 31, 2022
- Added Jacobian of things that could be used in iteration · 0179829d
  Ian Bell authored 2 years ago
  0179829d
- Expose the derivative matrix · 78ab9338
  Ian Bell authored 2 years ago
  78ab9338
- Benchmark also in C++ · 4e2bf959
  Ian Bell authored 2 years ago
  
  4e2bf959
Oct 27, 2022
- Generalize the derivative matrix · 1bb83908
  Ian Bell authored 2 years ago
  1bb83908
Oct 19, 2022
- Test for mismatch of length of mole fraction array · f0ffb3ae
  Ian Bell authored 2 years ago
  f0ffb3ae
- Update tests for the new alphaig structure · 92f39f6c
  Ian Bell authored 2 years ago
  
  92f39f6c
- Adding the 2-Center Lennard-Jones model (Mecke & Lisal) (#18) · fcd3889b
  svenp authored 2 years ago
  Unverified
  
  fcd3889b
Oct 14, 2022
- Conversion routines from CoolProp formatted ideal-gas (#19) · 9caaaef6
  Ian Bell authored 2 years ago
  Unverified
  
  9caaaef6
Oct 11, 2022
- Moved the model potential headers, updated include paths · 654b44c3
  Ian Bell authored 2 years ago
  
  654b44c3
Oct 06, 2022
- Add EOS of Kataoka for EXP-6 EOS · 6b3ca626
  Ian Bell authored 2 years ago
  
  6b3ca626
Oct 05, 2022
- Fix implementation of SW EOS, calculate critical points · cb538bb0
  Ian Bell authored 2 years ago
  cb538bb0
- Added square well EOS of Espíndola-Heredia et al. · 08299ec3
  Ian Bell authored 2 years ago
  
  08299ec3
Aug 24, 2022
- Fix test · dab95b04
  Ian Bell authored 2 years ago
  
  dab95b04
Aug 23, 2022
- Fixed wrapping of VLE routines and their flags objects · 1bfe3dad
  Ian Bell authored 2 years ago
  
  1bfe3dad
- Add routine for TP flash for binary mixture, to solve for molar concentrations... · 72255641
  Ian Bell authored 2 years ago
  72255641
Aug 21, 2022
- Throw an error for pure fluid endpoint for Tillner-Roth model due to derivative problem · 41510e48
  Ian Bell authored 2 years ago
  41510e48
Aug 19, 2022
- Prohibit calling ancillaries above the reducing temperature · 22f8ed11
  Ian Bell authored 2 years ago
  22f8ed11
Aug 16, 2022
- A lot more control is allowed on polishing for critical loci · f527d98b
  Ian Bell authored 2 years ago
  
  f527d98b
Aug 10, 2022
- Pure endpoint polishing is opt-in, not opt-out for critical curves · 6eb7248f
  Ian Bell authored 2 years ago
  
  6eb7248f
- Silence shell output · 82a1e06e
  Ian Bell authored 2 years ago
  
  82a1e06e
- Add implementation of polishing of pure fluid endpoint in critical tracing · a956e698
  Ian Bell authored 2 years ago
  a956e698
- Move PC-SAFT catch tests into own file · aa09674a
  Ian Bell authored 2 years ago
  aa09674a
- Fix indentation in all catch tests · 7f8bbc19
  Ian Bell authored 2 years ago
  
  7f8bbc19
Aug 08, 2022
- Fix Tillner-Roth implementation, can trace what seem like correct critical loci · 0f1cf852
  Ian Bell authored 2 years ago
  
  0f1cf852
- First cut at Tillner-Roth · cfb63318
  Ian Bell authored 2 years ago
  
  cfb63318
Aug 04, 2022
- Approx for catch tests, fail in debug but not in Release, weird · 25ef5314
  Ian Bell authored 2 years ago
  
  25ef5314
Aug 03, 2022
- Fixed the test for infinite dilution derivatives · 5f8ef93b
  Ian Bell authored 2 years ago
  5f8ef93b
- Add rudimentary test for isobar tracing · 5e78471f
  Ian Bell authored 2 years ago
  
  5e78471f
- Ideal-gas properties appear to be working properly · 99c0da59
  Ian Bell authored 2 years ago
  
  99c0da59
Aug 02, 2022
- Mixtures work now too for alphaig · 8a3ef27d
  Ian Bell authored 2 years ago
  8a3ef27d
- General structure is working for alphaig terms · 09f87e2c
  Ian Bell authored 2 years ago
  
  09f87e2c
Aug 01, 2022
- Disable the infinite dilution test · a32377d6
  Ian Bell authored 2 years ago
  a32377d6
- Add tests for manual isobar tracing · 965f14f4
  Ian Bell authored 2 years ago
  965f14f4
- A few more fixes for infinite dilution, with tests (passing) · 8ed42067
  Ian Bell authored 2 years ago
  
  8ed42067
Jul 31, 2022
- And this time with a test · c408d388
  Ian Bell authored 2 years ago
  
  c408d388
Jul 05, 2022
- bugfix to allow for kmat and coeffs in PC-SAFT · 888a60bd
  Ian Bell authored 2 years ago
  
  888a60bd