Commits · fb5a37921303954bf89c5f272e27aebef253f99d · Sven Michael Pohl / teqp_fork_old

May 12, 2023
- Add Twu alpha function · fb5a3792
  Ian Bell authored 1 year ago
  
  See #16
  fb5a3792
May 09, 2023
- Fix cubics example · f7b38bfa
  Ian Bell authored 1 year ago
  
  Had cast to wrong type
  f7b38bfa
Mar 28, 2023
- Additional tests for non-provided kmat · 8ac5375b
  Ian Bell authored 2 years ago
  
  Another bugfix release is needed
  8ac5375b
Jan 25, 2023
- Double-check I know how to do the calculation for density derivatives · dd834599
  Ian Bell authored 2 years ago
  
  Typo in Thorade for dp/drho|T, missing factor of 2
  dd834599
- Add dpsat/dT for pure with Clausius-Clapeyron · 6955e82f
  Ian Bell authored 2 years ago
  
  6955e82f
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
  
  Add routine for TP flash for binary mixture, to solve for molar concentrations (and therefore mole fractions)
  72255641
Aug 03, 2022
- Fixed the test for infinite dilution derivatives · 5f8ef93b
  Ian Bell authored 2 years ago
  
  A polish was needed after perturbation (duh!)
  5f8ef93b
- Add rudimentary test for isobar tracing · 5e78471f
  Ian Bell authored 2 years ago
  
  5e78471f
Aug 01, 2022
- Disable the infinite dilution test · a32377d6
  Ian Bell authored 2 years ago
  
  Also quiet the shell output
  a32377d6
- Add tests for manual isobar tracing · 965f14f4
  Ian Bell authored 2 years ago
  
  Fix bug in temperature ones
  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
May 21, 2022
- Enable setting kij for cubics · d751a201
  Ian Bell authored 2 years ago
  
  d751a201
Mar 22, 2022
- Migrate to new Catch2 interface · d69ccf77
  Ian Bell authored 3 years ago
  
  d69ccf77
Feb 13, 2022
- Relax tolerance, hopefully the tests all pass now · 025ee37b
  Ian Bell authored 3 years ago
  
  025ee37b
Feb 02, 2022
- Add routine for VLE for mixtures at specified mole fraction and temperature · e0f556ec
  Ian Bell authored 3 years ago
  
  e0f556ec
Nov 15, 2021
- Move everything into teqp namespace · 77a765c5
  Ian Bell authored 3 years ago
  
  77a765c5
Oct 24, 2021
- Throw if temperatures are out of range to superancillaries · 4c09c323
  Ian Bell authored 3 years ago
  
  4c09c323
- Isothermal parametric VLE tracing working · 5131deea
  Ian Bell authored 3 years ago
  
  5131deea
Oct 21, 2021
- Added a test of VLE integration for Peng-Robinson with stepping in p · a575db0d
  Ian Bell authored 3 years ago
  
  a575db0d
- Expose superancillary curves for cubics and add to python interface · 98072740
  Ian Bell authored 3 years ago
  
  See https://pubs.acs.org/doi/abs/10.1021/acs.iecr.1c00847
  98072740
Oct 12, 2021
- Update tests for cubics · f81186f1
  Ian Bell authored 3 years ago
  
  f81186f1
- Add the two canonical cubic EOS (PR and SRK) to C++ code · 0c43a16b
  Ian Bell authored 3 years ago
  
  Some more testing is needed, but looks promising so far
  0c43a16b