Commits · fb5a37921303954bf89c5f272e27aebef253f99d · Sven Michael Pohl / teqp_fork_old

Apr 18, 2023
- Add more tests for PC-SAFT · 8ebcb141
  Ian Bell authored 1 year ago
  
  8ebcb141
Apr 04, 2023
- Fix virial coefficients for SAFT models · bf348678
  Ian Bell authored 1 year ago
  
  Very subtle problem with handling derivatives at zero density
  bf348678
Mar 28, 2023
- Fix and test kmat for PCSAFT · 51f54aa5
  Ian Bell authored 2 years ago
  
  51f54aa5
- Fixes to allow PC-SAFT to be evaluated at zero density better · beaa5ea6
  Ian Bell authored 2 years ago
  
  beaa5ea6
Mar 03, 2023
- Another taking of ownership · 23edd451
  Ian Bell authored 2 years ago
  
  Also test dipolar with JSON
  23edd451
- Make contributions own their memory · 9326190c
  Ian Bell authored 2 years ago
  
  The references seem to be getting broken. There must be an implicit copy somehow.
  9326190c
- Refactored the chain EOS to include polar contributions · 9a48cfc4
  Ian Bell authored 2 years ago
  
  Added into the coeffs structure, nice interface
  9a48cfc4
- Fix my double-check of conversion function · 7585d82a
  Ian Bell authored 2 years ago
  
  7585d82a
Mar 02, 2023
- Add the quadrupolar model plus the hard chain · 99bd626e
  Ian Bell authored 2 years ago
  
  99bd626e
- Add the dipolar contribution · 348cbe81
  Ian Bell authored 2 years ago
  
  Refactoring of the SAFT contributions is going to be needed
  348cbe81
Nov 07, 2022
- Explicitly add the boost headers · 63bbb093
  Ian Bell authored 2 years ago
  
  63bbb093
Aug 10, 2022
- Move PC-SAFT catch tests into own file · aa09674a
  Ian Bell authored 2 years ago
  
  Should speed up compilation a smidge
  aa09674a
Jul 05, 2022
- bugfix to allow for kmat and coeffs in PC-SAFT · 888a60bd
  Ian Bell authored 2 years ago
  
  888a60bd
May 19, 2022
- Add ability to set kij for PC-SAFT · 278abc13
  Ian Bell authored 2 years ago
  
  278abc13