Commits · 41510e48d1e1fa6d798ec50eded22bb31a625ad7 · Sven Michael Pohl / teqp_fork_old · GitLab

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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
  
  Found the first real bug in autodiff: https://github.com/autodiff/autodiff/issues/242
  41510e48
- Add reducing functions of Tillner-Roth to Python · bd2a7d7b
  Ian Bell authored 2 years ago
  
  bd2a7d7b
Aug 19, 2022
- Fix location of JSON loading function · d58ff3e6
  Ian Bell authored 2 years ago
  
  d58ff3e6
- 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
- Prohibit calling ancillaries above the reducing temperature · 22f8ed11
  Ian Bell authored 2 years ago
  
  And add test
  22f8ed11
Aug 18, 2022
- Remove unused header · 1fd6c18a
  Ian Bell authored 2 years ago
  
  1fd6c18a
- Add missing header · 8664225c
  Ian Bell authored 2 years ago
  
  8664225c
Aug 16, 2022
- A lot more control is allowed on polishing for critical loci · f527d98b
  Ian Bell authored 2 years ago
  
  f527d98b
- Make error message accessible from teqp exceptions · aa688b9f
  Ian Bell authored 2 years ago
  
  aa688b9f
Aug 10, 2022
- No more tabs · 563f798c
  Ian Bell authored 2 years ago
  
  563f798c
- Expose Tillner-Roth model for ammonia/water to python · 0f99a287
  Ian Bell authored 2 years ago
  
  0f99a287
- 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
  
  See https://github.com/usnistgov/teqp/issues/9
  a956e698
- Refactor pure fluid critical routines into separate header · d406028a
  Ian Bell authored 2 years ago
  
  To avoid circular dependency in what is to come
  d406028a
- Add check on length of mole fractions in vdW model · c12fc858
  Ian Bell authored 2 years ago
  
  c12fc858
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
- Don't evaluate ln(delta) when delta is zero, even if this is not used · 73b5a461
  Ian Bell authored 2 years ago
  
  73b5a461
Aug 03, 2022
- Simplify the Aig00 case · 50fd6b11
  Ian Bell authored 2 years ago
  
  50fd6b11
- 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
  
  Just need to fill in the remaining terms and test, test, test
  8a3ef27d
- Wrong wrapper class · 40a4fc0f
  Ian Bell authored 2 years ago
  
  40a4fc0f
- General structure is working for alphaig terms · 09f87e2c
  Ian Bell authored 2 years ago
  
  09f87e2c
- Add first refactoring to allow for ideal-gas part · 7cb10ca7
  Ian Bell authored 2 years ago
  
  7cb10ca7
Aug 01, 2022
- Isobaric parametric tracing might be working now · 57708699
  Ian Bell authored 2 years ago
  
  More testing is still needed to identify other issues
  57708699
- Force the data type to deal with times where the argument is a wrapper of sorts · ef99e21c
  Ian Bell authored 2 years ago
  
  ef99e21c
- 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
  
  I am confused...
  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
  
  And add test
  71e74225
Jul 28, 2022
- Also align eigenvectors when taking the temperature derivative · b70178f7
  Ian Bell authored 2 years ago
  
  b70178f7
Jul 26, 2022
- Two non-serious warnings from clang squelched · 6d7fead8
  Ian Bell authored 2 years ago
  
  6d7fead8
- Fix bug in mix_VLE_Tx with missing abs value · d87e91ea
  Ian Bell authored 2 years ago
  
  Stopped iteration if dx values are all < 0
  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
Jul 18, 2022
- Allow for getting base val from mcx<boost::multiprecision> · 6d49c55c
  Ian Bell authored 2 years ago
  
  6d49c55c
- Squelch some non-serious compiler warnings · 1ecbdd2a
  Ian Bell authored 2 years ago
  
  1ecbdd2a
Jun 28, 2022
- Transcription error in the last digit of a PC-SAFT coefficient · cc371440
  Ian Bell authored 2 years ago
  
  cc371440
Jun 18, 2022
- Even more commenting out of unused variables · 72bb1016
  Ian Bell authored 2 years ago
  
  72bb1016