Commits · e34b72af1afa3d73920c74fc912ce0b10bf8e898 · Sven Michael Pohl / teqp_fork_old

Apr 06, 2021
- Add get_Ar0n function · e34b72af
  Ian Bell authored 3 years ago
  
  And Python wrapper and tests
  e34b72af
Apr 02, 2021
- Add derivatives Ar11, Ar22, and neff · 30145afe
  Ian Bell authored 3 years ago
  
  Add test for neff; it is undefined for vdW EOS, interesting
  30145afe
- Move more methods into their own namespace · 9502e341
  Ian Bell authored 3 years ago
  
  9502e341
Apr 01, 2021
- Everything compiles again. · 85f57bd3
  Ian Bell authored 3 years ago
  
  Scary warning from MSVC: 4>C:\Program Files (x86)\Microsoft Visual Studio\2019\Professional\VC\Tools\MSVC\14.28.29333\include\cmath(638): warning C4717: 'copysign<double,double,0>': recursive on all control paths, function will cause runtime stack overflow
  85f57bd3
- Add PC-SAFT model (no dipole or quadrupole contributions) · b9f5585b
  Ian Bell authored 3 years ago
  
  b9f5585b
- Add (some) virials to the python interface · c1acbabb
  Ian Bell authored 3 years ago
  
  c1acbabb
- More relocating and fixing · fc3e1518
  Ian Bell authored 3 years ago
  
  fc3e1518
- First cut at python wrapper (working brilliantly) · 3cc32668
  Ian Bell authored 3 years ago
  
  3cc32668
Mar 31, 2021
- Everything compiles again minus most of the valarray · 3779b027
  Ian Bell authored 3 years ago
  
  Isochoric derivatives moved into their own namespace
  3779b027
- Reference instead of copy · afdcbf45
  Ian Bell authored 3 years ago
  
  afdcbf45
- Switch Ar02 to autodiff · d952f21a
  Ian Bell authored 3 years ago
  
  d952f21a
- Add B12 · 2b8daac7
  Ian Bell authored 3 years ago
  
  2b8daac7
Mar 29, 2021
- Virial coefficient AD backend are also selectable now · e1ccf794
  Ian Bell authored 3 years ago
  
  e1ccf794
- Begin transition to compile-time selection of algorithmic differentiation backend · 38b602a5
  Ian Bell authored 3 years ago
  
  38b602a5
- Repair Ar10 · bf37d01c
  Ian Bell authored 3 years ago
  
  bf37d01c
- Missing dependent type · a2d39c5f
  Ian Bell authored 3 years ago
  
  a2d39c5f
- Begin transition to TDD · 57233369
  Ian Bell authored 3 years ago
  
  57233369
Mar 26, 2021
- multicomplex critical curve tracing is working again, almost also with autodiff · c81893d9
  Ian Bell authored 3 years ago
  
  c81893d9
Mar 24, 2021
- Correct the virial coefficient calculation · f0c132b9
  Ian Bell authored 3 years ago
  
  f0c132b9
Mar 23, 2021
- Move more to the new mcx namespace · 140afd05
  Ian Bell authored 3 years ago
  
  140afd05
Mar 19, 2021
- Add all the virial coefficients up to the n-th, and a tiny test of this · 3f55682f
  Ian Bell authored 4 years ago
  
  3f55682f
- I seem to have broken autodiff support by the transition to T,rho,molefrac inputs. · cb867cf4
  Ian Bell authored 4 years ago
  
  cb867cf4
- Add updated version of Ar01 · eb34966b
  Ian Bell authored 4 years ago
  
  eb34966b
Mar 18, 2021
- Fix second virial coefficient calculation · 7902eb10
  Ian Bell authored 4 years ago
  
  Refactor what is implemented
  7902eb10
Mar 17, 2021
- Start work on virial coefficients. Perplexing for mixtures. · bc145abb
  Ian Bell authored 4 years ago
  
  Fix bug in Ar10
  bc145abb
Mar 12, 2021
- Optionally use autodiff; currently only works for the simple EOS · 182939a8
  Ian Bell authored 4 years ago
  
  182939a8
Mar 11, 2021
- Switch Hessian evaluation to autodiff · 91c4d09c
  Ian Bell authored 4 years ago
  
  Tracing is now crazy fast
  91c4d09c
Mar 02, 2021
- It works for CO2 now too!!!!!! · 7e108cd2
  Ian Bell authored 4 years ago
  
  Bug in mcx with negative arguments to pow(x,2.0), square fixes it
  7e108cd2
Feb 24, 2021
- Tracing critical curves works! · 15c3cef7
  Ian Bell authored 4 years ago
  
  15c3cef7
- Slight simplification of derivatives · 60330194
  Ian Bell authored 4 years ago
  
  60330194
- Multicomplex derivatives also working now · 4d85d0ce
  Ian Bell authored 4 years ago
  
  4d85d0ce
- Add some docs to deriv functions · caccf228
  Ian Bell authored 4 years ago
  
  caccf228
- Add method for residual entropy · bbcb2b15
  Ian Bell authored 4 years ago
  
  bbcb2b15
- Switch to new methods for pressure calculation · de82f8ca
  Ian Bell authored 4 years ago
  
  de82f8ca
- Restructure the rhoi derivatives · 3362c84d
  Ian Bell authored 4 years ago
  
  3362c84d
- Switch to wrapper function for Psir · aed734f0
  Ian Bell authored 4 years ago
  
  aed734f0
- More generic derivative functions · bbb33836
  Ian Bell authored 4 years ago
  
  bbb33836
- tabs -> 4space · 7cecb455
  Ian Bell authored 4 years ago
  
  7cecb455
Feb 22, 2021
- Move Hessian function placeholder · 185a85ee
  Ian Bell authored 4 years ago
  
  185a85ee
- First commit for teqp · a5b308bf
  Ian Bell authored 4 years ago
  
  a5b308bf