Commits · ea6b077a75ac6ec387401a2eb95e996faa2b6817 · Sven Michael Pohl / teqp_fork_old

Oct 24, 2022
- Version 0.13.0 · ea6b077a
  Ian Bell authored 2 years ago
  
  ea6b077a
Oct 19, 2022
- Test for mismatch of length of mole fraction array · f0ffb3ae
  Ian Bell authored 2 years ago
  
  Closes https://github.com/usnistgov/teqp/issues/15
  f0ffb3ae
- Slightly more helpful deprecation warning · a9c87816
  Ian Bell authored 2 years ago
  
  a9c87816
- Revert some of the Eigen::Ref for now · 920d9d97
  Ian Bell authored 2 years ago
  
  920d9d97
- Two more Eigen::Ref conversions in the pybind11 interface · 361ca830
  Ian Bell authored 2 years ago
  
  361ca830
- Convert all Eigen::Array to Eigen::Ref<const Eigen::Array> · 68543a36
  Ian Bell authored 2 years ago
  
  It avoids a quiet copies throughout the interface
  68543a36
- Show how the multifluid setting works · 16de12a0
  Ian Bell authored 2 years ago
  
  16de12a0
- Fix writing of alias map · 29a8e918
  Ian Bell authored 2 years ago
  
  29a8e918
- Only print the keys · 9e81b24d
  Ian Bell authored 2 years ago
  
  9e81b24d
- A few JSON [] to .at() · da723c5c
  Ian Bell authored 2 years ago
  
  da723c5c
- Some docs for estimation of parameters · 06a99aad
  Ian Bell authored 2 years ago
  
  06a99aad
- Update tests for the new alphaig structure · 92f39f6c
  Ian Bell authored 2 years ago
  
  92f39f6c
- Fix the 2-center class · bf0d836d
  Ian Bell authored 2 years ago
  
  Changed to moves, and renamed the exposed attributes
  bf0d836d
- Adding the 2-Center Lennard-Jones model (Mecke & Lisal) (#18) · fcd3889b
  svenp authored 2 years ago
  
  * Adding the 2-Center Lennard-Jones model developed by Mecke and the revised version of Lisal * Added dipolar and quadrupolar contributions to 2CLJF model
  fcd3889b
Oct 18, 2022
- Rewrite the terms to make them more legible · b9507fdd
  Ian Bell authored 2 years ago
  
  b9507fdd
Oct 14, 2022
- Conversion routines from CoolProp formatted ideal-gas (#19) · 9caaaef6
  Ian Bell authored 2 years ago
  
  Add conversion routines for ideal-gas Helmholtz terms from CoolProp format
  9caaaef6
Oct 13, 2022
- NOT is case sensitive? · 6dec272c
  Ian Bell authored 2 years ago
  
  6dec272c
- Add flags to disable more targets · 9d074039
  Ian Bell authored 2 years ago
  
  9d074039
Oct 11, 2022
- Moved the model potential headers, updated include paths · 654b44c3
  Ian Bell authored 2 years ago
  
  654b44c3
Oct 06, 2022
- Version 0.12.0 · 3426f765
  Ian Bell authored 2 years ago
  
  3426f765
- 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
  
  Yet another forceeval
  cb538bb0
- Added square well EOS of Espíndola-Heredia et al. · 08299ec3
  Ian Bell authored 2 years ago
  
  08299ec3
Oct 04, 2022
- Switch to newer API · 750c9adf
  Ian Bell authored 2 years ago
  
  750c9adf
Sep 15, 2022
- Add PCSAFTsuperanc module for docs · a6787c13
  Ian Bell authored 2 years ago
  
  a6787c13
- Bigger thumbnail · 3be4bc49
  Ian Bell authored 2 years ago
  
  3be4bc49
- Add screenshot to main page · 407b4fa8
  Ian Bell authored 2 years ago
  
  407b4fa8
- Add example of multifluid ancillary + polish for VLE · 445433a8
  Ian Bell authored 2 years ago
  
  445433a8
- Add example of calling superancillary for PC-SAFT to docs · d13a4641
  Ian Bell authored 2 years ago
  
  d13a4641
- Update README.md · c4494a3a
  Ian Bell authored 2 years ago
  
  c4494a3a
Sep 14, 2022
- v 0.11.0 · 143a22a9
  Ian Bell authored 2 years ago
  
  143a22a9
- Add dalphardep_ddelta for Tillner-Roth departure function · 985fd9ba
  Ian Bell authored 2 years ago
  
  985fd9ba
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
- Fix test · dab95b04
  Ian Bell authored 2 years ago
  
  dab95b04
- 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
  
  Switch TP VLE solver to Powell's dogleg method. Might be just a little bit more reliable, but hard to tell.
  e8d0d482
Aug 23, 2022
- Fixed wrapping of VLE routines and their flags objects · 1bfe3dad
  Ian Bell authored 2 years ago
  
  1bfe3dad