Commits · 3eec89ece0ac4cc0447379424ff51d0fc620bc4f · Sven Michael Pohl / teqp_fork_old · GitLab

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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
Jul 28, 2022
- Also align eigenvectors when taking the temperature derivative · b70178f7
  Ian Bell authored 2 years ago
  
  b70178f7
Jul 26, 2022
- Fix bug in mix_VLE_Tx with missing abs value · d87e91ea
  Ian Bell authored 2 years ago
  d87e91ea
Jul 25, 2022
- Allow for more control in the critical tracing (small T) and more verbosity · 396e2ed3
  Ian Bell authored 2 years ago
  
  396e2ed3
Jun 18, 2022
- Even more commenting out of unused variables · 72bb1016
  Ian Bell authored 2 years ago
  
  72bb1016
- Comment out some unused debugging variables · d6cb07c7
  Ian Bell authored 2 years ago
  
  d6cb07c7
May 26, 2022
- Add the ability to use boost::multiprecision numerical type with PC-SAFT to do phase equilibrium · 3046d5cd
  Ian Bell authored 2 years ago
  
  3046d5cd
May 25, 2022
- Enable the use of boost::multiprecision for VLE calculations with PR · 02557389
  Ian Bell authored 2 years ago
  02557389
May 19, 2022
- Is this how to make non-MSVC compilers happy? · a5e9851c
  Ian Bell authored 2 years ago
  
  a5e9851c
- Pure crit (#13) · e46c54fd
  Ian Bell authored 2 years ago
  e46c54fd
Mar 23, 2022
- (Optionally) stop critical tracing if density goes negative · f3e6b7af
  Ian Bell authored 3 years ago
  
  f3e6b7af
- Fix the critical curve polishers, much more reliable now · 4ff911bc
  Ian Bell authored 3 years ago
  4ff911bc
Mar 22, 2022
- Add ability to check local stability of critical points · 9d8eefc5
  Ian Bell authored 3 years ago
  
  9d8eefc5
- More clang checks · 81b87b5d
  Ian Bell authored 3 years ago
  
  81b87b5d
- Batch of warnings and improvements identified by clang · be468e9d
  Ian Bell authored 3 years ago
  
  be468e9d
- Start process of using only teqp-derived exceptions · e2c13151
  Ian Bell authored 3 years ago
  
  e2c13151
- Criticality conditions can be obtained when tracing · fda127c0
  Ian Bell authored 3 years ago
  fda127c0
Mar 21, 2022
- Also add mole fractions to output in TVLE · a1f1bc3e
  Ian Bell authored 3 years ago
  
  a1f1bc3e
- Polishing should be applied by default · cb8e9f71
  Ian Bell authored 3 years ago
  cb8e9f71