Commits · 9d3a24a2ce00f0495a56f1c3fefa4932c1f18ff0 · Sven Michael Pohl / teqp_fork_old

Apr 13, 2021
- Move critical tracing into its own namespace · 9d3a24a2
  Ian Bell authored 3 years ago
  
  9d3a24a2
Apr 08, 2021
- Refactor build_multifluid_model to make it easier to wrap · 3e664280
  Ian Bell authored 3 years ago
  
  3e664280
- Allow iteration limit to be set, rename method · 52650406
  Ian Bell authored 3 years ago
  
  See #2
  52650406
- Add VLE method for pures · e975a7bc
  Ian Bell authored 3 years ago
  
  See #2
  e975a7bc
- Add VLE residual class for pure fluids · fc5262ae
  Ian Bell authored 3 years ago
  
  See #2
  fc5262ae
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
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
- Refactor header includes · 435b7e3f
  Ian Bell authored 3 years ago
  
  435b7e3f
- 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
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
- Give explicit type · f4f102ec
  Ian Bell authored 3 years ago
  
  f4f102ec
- Add B12 · 2b8daac7
  Ian Bell authored 3 years ago
  
  2b8daac7
Mar 30, 2021
- Move vdW tracing into catch test · 98580c31
  Ian Bell authored 3 years ago
  
  98580c31
- Generalize the critical tracing routines for multifluid · 75c18ba7
  Ian Bell authored 3 years ago
  
  75c18ba7
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
- multifluid compiles now too · 081f418a
  Ian Bell authored 3 years ago
  
  081f418a
- Turn off broken autodiff tests · 6f5402af
  Ian Bell authored 3 years ago
  
  6f5402af
- Begin transition to TDD · 57233369
  Ian Bell authored 3 years ago
  
  57233369
Mar 26, 2021
- Now everything seems to be working with multifluid+autodiff, 10x faster it seems · 150bbbf4
  Ian Bell authored 3 years ago
  
  150bbbf4
- 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
- Another mcx namespace · 4dc7b219
  Ian Bell authored 3 years ago
  
  4dc7b219
Mar 19, 2021
- Added general solution for virial coefficients for vdW · a8864b44
  Ian Bell authored 4 years ago
  
  a8864b44
- 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
Mar 11, 2021
- Switch Hessian evaluation to autodiff · 91c4d09c
  Ian Bell authored 4 years ago
  
  Tracing is now crazy fast
  91c4d09c
- Hessian evaluation appears to be working with autodiff · 30f5624e
  Ian Bell authored 4 years ago
  
  30f5624e
- autodiff example is working! · 381d948f
  Ian Bell authored 4 years ago
  
  381d948f
- Relocate some include files, fix include paths · 802f2865
  Ian Bell authored 4 years ago
  
  802f2865
Mar 10, 2021
- autodiff example works now for first derivative w.r.t. T · af844e66
  Ian Bell authored 4 years ago
  
  af844e66
Mar 09, 2021
- Add (failing) autodiff example · f9ce9be8
  Ian Bell authored 4 years ago
  
  f9ce9be8
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
- Everything working except for things with CO2 · 3af86419
  Ian Bell authored 4 years ago
  
  3af86419
Mar 01, 2021
- Tracing with polishing is working · 2344bf53
  Ian Bell authored 4 years ago
  
  2344bf53
Feb 26, 2021
- Add arclength critical tracing too · 78de5948
  Ian Bell authored 4 years ago
  
  Polishing missing still, otherwise done?
  78de5948
- Added autodiff as dependency · b892ab7a
  Ian Bell authored 4 years ago
  
  Doesn't work so far
  b892ab7a