Commits · 2050f2297ba6a2689ad9bf095d35bdbf827dfae8 · Sven Michael Pohl / teqp_fork_old · GitLab

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May 09, 2023
- Add runtime check in rootfinding · 38acfeac
  Ian Bell authored 1 year ago
  
  38acfeac
- Move algorithms to AbstractModel · 539d2e20
  Ian Bell authored 1 year ago
  
  539d2e20
- critical_pure really returns a two-element array · c357dc5d
  Ian Bell authored 1 year ago
  
  c357dc5d
May 08, 2023
- Complete the refactor of AbstractModel core · a3f35ca4
  Ian Bell authored 1 year ago
  a3f35ca4
May 03, 2023
- Massive refactor of derivatives structuring · 7bd79d27
  Ian Bell authored 1 year ago
  7bd79d27
Apr 19, 2023
- Silence some warnings about unsigned -> signed conversions · 9e62475c
  Ian Bell authored 2 years ago
  9e62475c
Mar 23, 2023
- SAFT-VR-Mie implementation appears to be working · dd5b2bfd
  Ian Bell authored 2 years ago
  dd5b2bfd
- Generalize some pure routines; add pure_trace_VLE method · c5a137e3
  Ian Bell authored 2 years ago
  c5a137e3
Mar 15, 2023
- Refactor the solve_pure_critical for mixtures to use optional · efc85af9
  Ian Bell authored 2 years ago
  
  efc85af9
Jan 25, 2023
- Add dpsat/dT for pure with Clausius-Clapeyron · 6955e82f
  Ian Bell authored 2 years ago
  
  6955e82f
Nov 15, 2022
- Add termination flags for pressure and criticality in isothermal tracing · cbf9e7f4
  Ian Bell authored 2 years ago
  cbf9e7f4
Nov 09, 2022
- Doxygen documenting · c6f7e8ed
  Ian Bell authored 2 years ago
  
  c6f7e8ed
Nov 08, 2022
- Add Newton-Raphson iterator for homogeneous iterative calculations · 4d3f8fd2
  Ian Bell authored 2 years ago
  
  4d3f8fd2
Nov 07, 2022
- One more eval to avoid expression · dfd5fca2
  Ian Bell authored 2 years ago
  
  dfd5fca2
Nov 04, 2022
- Fix bug when alignment vector is provided but empty · 8ed9b01f
  Ian Bell authored 2 years ago
  
  8ed9b01f
- The VLLE routines · 448d26f9
  Ian Bell authored 2 years ago
  448d26f9
- The remaining VLE routines · 7ee5a32d
  Ian Bell authored 2 years ago
  7ee5a32d
- The remaining critical methods · 6b59eccd
  Ian Bell authored 2 years ago
  
  6b59eccd
Nov 01, 2022
- Transition more things into the AbstractModel framework · bbac7dc5
  Ian Bell authored 2 years ago
  
  bbac7dc5
Aug 26, 2022
- Add dp/dT along critical locus (and to Python) · e760e080
  Ian Bell authored 2 years ago
  
  e760e080
Aug 25, 2022
- Also apply the positivity constraints to the Tx VLE calcs · 9f0c539b
  Ian Bell authored 2 years ago
  
  9f0c539b
- Try to make the TP VLE call more reliable. Let's see · e28f6968
  Ian Bell authored 2 years ago
  
  e28f6968
Aug 24, 2022
- Restructure the flag management for mix TP VLE · a3f0a7f8
  Ian Bell authored 2 years ago
  
  a3f0a7f8
- Restructure return value from TP mix VLE into a struct · a18bfd47
  Ian Bell authored 2 years ago
  
  a18bfd47
- Switch TP VLE solver to Powell's dogleg method. Might be just a little bit... · e8d0d482
  Ian Bell authored 2 years ago
  e8d0d482
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
- Add ability to do pure fluid VLE calculations. Some more testing would be good · 61da6ba9
  Ian Bell authored 2 years ago
  
  61da6ba9
Aug 19, 2022
- How did Python get into my C++ :) · f9f492ed
  Ian Bell authored 2 years ago
  
  f9f492ed
- Add ability to terminate trace if it goes mechanically unstable (enters the spinodal) · 041db1c3
  Ian Bell authored 2 years ago
  
  041db1c3
- Break VLE isobar and isotherm tracing if any molar concentrations are not finite · d5046161
  Ian Bell authored 2 years ago
  
  d5046161
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
- Add implementation of polishing of pure fluid endpoint in critical tracing · a956e698
  Ian Bell authored 2 years ago
  a956e698
- Refactor pure fluid critical routines into separate header · d406028a
  Ian Bell authored 2 years ago
  d406028a
Aug 01, 2022
- Isobaric parametric tracing might be working now · 57708699
  Ian Bell authored 2 years ago
  57708699
- Add isobar phase equilibrium routine · ea7417d3
  Ian Bell authored 2 years ago
  
  ea7417d3
- Revert changes to infinite dilution approach and go back to as published in Deiters · 1e43da28
  Ian Bell authored 2 years ago
  1e43da28
- A few more fixes for infinite dilution, with tests (passing) · 8ed42067
  Ian Bell authored 2 years ago
  
  8ed42067
Jul 31, 2022
- Fix infinite dilution for isotherm and isobar derivatives · 71e74225
  Ian Bell authored 2 years ago
  71e74225