Diffusion SpecMiCP / ReactMiCP (master) History

adimensional
master4bb92b2d2b3f3085aca3ad5…

Sep 29 2015

feature: add water pressure model in specmicp
4bb92b2d2b3f
·fabien on Sep 29 2015, 16:16.

Sep 26 2015

impr: padding in adimensional_system_solution
e1d44a9d9d81
·fabien on Sep 26 2015, 23:53.

Sep 14 2015

refactor: hide default options of AdimensinalSystemOptions
24ef8eadfa0f
·fabien on Sep 14 2015, 23:30.
refactor: adim default options are now in config_*.h file
f0fd4a5cd0ff
·fabien on Sep 14 2015, 23:04.
refactor: move configuration solution output in config_<> file
8f3676bf7899
·fabien on Sep 14 2015, 22:11.
output: add comment in solution files of SpecMiCP
3fe35fdcbd16
·fabien on Sep 14 2015, 21:55.

Sep 9 2015

fix: correct initialisation of variables in AdimensionalSolver
390c23c8aaee
·fabien on Sep 9 2015, 21:35.

Aug 11 2015

impr: abort solution parsing if metadata are not correct
db7f20a8c8a1
·fabien on Aug 11 2015, 20:55.
cosmetic: remove old code in comment
f75db11b41df
·fabien on Aug 11 2015, 20:54.

Jul 20 2015

fix: correct assertions in adimensional system numbering
1c251fa879ac
·fabien on Jul 20 2015, 23:00.

Jul 17 2015

fix: Correct saturation index sum
5d8f161fb9ba
·fabien on Jul 17 2015, 19:34.

Jul 13 2015

fix: modificator.set_minerals_kinetic
cee2d2898673
·fabien on Jul 13 2015, 20:56.

Jun 25 2015

Use the new format class info in output.
7d9e3901a22c
·fabien on Jun 25 2015, 19:24.

Jun 22 2015

Modify signature of AdimensionalSystemSolver constructors
1212aabdfff4
·fabien on Jun 22 2015, 20:58.

Jun 10 2015

Fix, minor improvements in SpecMiCP module
1d81493e610c
·fabien on Jun 10 2015, 16:20.

Jun 9 2015

Documentation
f9d6ee556023
·fabien on Jun 9 2015, 14:44.
Move AdimensionalSystemSolverSaver to YAML formatting
f28c1c458a8b
·fabien on Jun 9 2015, 05:53.

Jun 2 2015

Modify molar_mass_<species> in DataContainer
7d1722d5bb0f
·fabien on Jun 2 2015, 16:30.

May 13 2015

Use macro to define default options for SpecMiCP
8b7823715ed7
·fabien on May 13 2015, 01:02.

May 5 2015

I forgot the secondary aqueous species in the solution saver....
bdda0cd099d0
·fabien on May 5 2015, 15:00.

May 3 2015

Add the specmicp_common library
ff0d0fbcfe7b
·fabien on May 3 2015, 22:19.

May 1 2015

Corret symbol export in serializer
7e7e298a6160
·fabien on May 1 2015, 00:15.
Add a serializer for AdimensionalSystemSolution
583eb2cd10a4
·fabien on May 1 2015, 00:09.

Apr 30 2015

Minor fixes/documentation in Specmicp
8dd3dcc176c6
·fabien on Apr 30 2015, 04:03.
Add a fixed molality constraints in AdimensionalSystem
eee5a564c204
·fabien on Apr 30 2015, 00:29.

Apr 28 2015

Set the visibility flags for the Specmicp library
7df477fd05e4
·fabien on Apr 28 2015, 04:53.
Fixes to compile with Clang (3.6.0)
9c9d231a7dfd
·fabien on Apr 28 2015, 01:27.

Apr 27 2015

Fixes suggested by Cppcheck
da87eb82fc39
·fabien on Apr 27 2015, 22:41.

Apr 23 2015

Fixes minor problems found with the new SANITIZER build type
ecc68045c31e
·fabien on Apr 23 2015, 05:34.
Use small step by default in AdimensionalSystemSolver
9f4ca7e6c456
·fabien on Apr 23 2015, 00:23.

Apr 21 2015

correct inclusion of headers
4dde22e2e8fc
·fabien on Apr 21 2015, 21:58.

Apr 20 2015

Deprecate the total_saturation_{mineral,water}
9cc89d2d9dc1
·fabien on Apr 20 2015, 03:10.

Apr 16 2015

Morning doc welcomes duck
d204ff482220
·fabien on Apr 16 2015, 15:15.
Documentation
d242af75fe48
·fabien on Apr 16 2015, 05:32.

Apr 15 2015

License update before release
b174f1ddf352
·tag: 0.0.3
·fabien on Apr 15 2015, 22:11.

Apr 12 2015

Improve consistency of function naming
d4be19a55956
·fabien on Apr 12 2015, 22:40.

Apr 11 2015

Minor fixes in the c++ SpecMiCP API
a5a9ab80bdf3
·fabien on Apr 11 2015, 22:29.

Apr 10 2015

Solution can return the vector of main solution
698bdbf6176e
·fabien on Apr 10 2015, 03:59.

Apr 8 2015

Add helper meber functions
824f90062e79
·fabien on Apr 8 2015, 15:31.

Apr 1 2015

Add the ability to solve oxydoreduction system
ea534669b0e6
·fabien on Apr 1 2015, 23:05.

Mar 31 2015

Refactor residual and jacobian in specmicp
8d287d0302ef
·fabien on Mar 31 2015, 16:00.

Mar 27 2015

fixes commit 0174eeb
665b1c9415f6
·fabien on Mar 27 2015, 16:10.

Mar 26 2015

Small optimization, avoid checking and scaling the molar volumes too many times…
0174eeb1cf69
·fabien on Mar 26 2015, 18:43.
Intern refactoring of AdimensionalSystem
33d3d8b8a771
·fabien on Mar 26 2015, 15:30.

Mar 25 2015

Disable bulk copy of variables for now - to fix
fa87e6334e88
·fabien on Mar 25 2015, 20:38.
Update the adimensional system for the new database module
c6b716588c1d
·fabien on Mar 25 2015, 14:45.

Mar 17 2015

add a convenience function in specmicp adimensional solver to solve a system
f952caf0c318
·fabien on Mar 17 2015, 15:46.

Mar 13 2015

Update headers in the src/specmicp/adimensional files
e94e903fe893
·fabien on Mar 13 2015, 04:22.
Disable the descent condition in the AdimensionalSystemSolver.
8e74befa1920
·fabien on Mar 13 2015, 04:21.
Add a return value (boolean) in the AdimensionalSystemPCFM::check_validity
5e764b31a7c6
·fabien on Mar 13 2015, 04:18.
Add a threshold for including the component in the computation in…
f5f97272d811
·fabien on Mar 13 2015, 02:53.

Feb 28 2015

Randomize the restarting guess in AdimensionalSystem.
9cf41f6dfb45
·fabien on Feb 28 2015, 23:31.

Feb 27 2015

Add a validity check (just print warning and or error for the PCFM method…
bddaf0d936da
·fabien on Feb 27 2015, 16:02.

Feb 25 2015

Correct the AdimensionalSystem jacobian, fixes issue #29
0b1682bb59f9
·fabien on Feb 25 2015, 23:46.
Correct the surface model, so the activity are defined with respect to the…
ac9b4eb735f4
·fabien on Feb 25 2015, 14:53.

Feb 24 2015

Correct porosity computation, minerals offset
a4055a6a6783
·fabien on Feb 24 2015, 16:07.

Feb 23 2015

Improve AdimensionalSystemSolver, initialisation of pcfm solver, debug messages…
d76c3f21bd38
·fabien on Feb 23 2015, 20:17.
Correct jacobian computation (both analytical and finite difference) in…
8b5357988ba5
·fabien on Feb 23 2015, 20:17.
Improve initialisation of surface model in AdimensionalSystemConstraints
d39cf3d5d38a
·fabien on Feb 23 2015, 04:18.
AdimensionalSystemSolver variable initalization : change…
59f0bfff78d5
·fabien on Feb 23 2015, 04:13.
documentation fixes for AdimensionalSystemNumbering
69652eb35705
·fabien on Feb 23 2015, 04:10.
Add a function in AdimensionalSystem that return the surface sorption model
4338212826c9
·fabien on Feb 23 2015, 04:09.

Feb 17 2015

include the pcfm method to the AdimensionalSystemSolver
2d49c2d3302a
·fabien on Feb 17 2015, 04:45.
Add AdimensionalSystemPCFM, a class to precondition an aqeous solver using the…
c7608a0ce239
·fabien on Feb 17 2015, 04:44.
Documentation for AdimensionalSystem
8ecff9b7f967
·fabien on Feb 17 2015, 04:42.

Feb 16 2015

add numbering of secodnary species and activity coefficients in…
08d31233017d
·fabien on Feb 16 2015, 16:10.
Add functions for custom initialisation of the main variables
2e391aab5671
·fabien on Feb 16 2015, 15:57.
reuse already defined function to compute the total solid concentration of a…
78836305e4b0
·fabien on Feb 16 2015, 15:56.
Use the new AdimensionalSystemNumbering Base clase in the…
680ccde7e3f4
·fabien on Feb 16 2015, 15:52.
externalize the dof numberign of the AdimensionalSystem, so it can be used by…
31d88c30dde8
·fabien on Feb 16 2015, 15:46.
The main variable for the free surface concentration is now a the log_10 of the…
5e7f42ca25c3
·fabien on Feb 16 2015, 15:18.

Feb 13 2015

Modify sorped species calculation, add a specific equation. Free sorption sites…
987ce3089fb7
·fabien on Feb 13 2015, 16:18.

Feb 10 2015

small corrections for the adimensional system with the new sorbed species
8ec8f50ef0fa
·fabien on Feb 10 2015, 21:01.
add support for sorbed species in AdmiensionalSystem
1af9208c7a4c
·fabien on Feb 10 2015, 17:11.
correct jacobian for the water equation in AdimensionalSystem, fixes issue #25
513ba6bd0ef3
·fabien on Feb 10 2015, 17:09.
small enhancements of specmicp
9290bd437d11
·fabien on Feb 10 2015, 03:12.
add a boolean to check that the solution has been initialized
835f7071e071
·fabien on Feb 10 2015, 03:08.
allow custom initialisation
c0917faf9b6a
·fabien on Feb 10 2015, 03:06.

Feb 6 2015

correct AdimensionalSystemSolutionExtractor::log_molality_component for water
47a6cfb7136d
·fabien on Feb 6 2015, 14:28.

Feb 3 2015

correct typo in residual water in AdimensionalSystem, fixes bug #20
cd36fb74436f
·fabien on Feb 3 2015, 21:47.
add scaling for the AdimensionalSystem, fixes issue #23
86c34c364f68
·fabien on Feb 3 2015, 17:39.
correct pressure contribution in specmicp, fixes issue #24
50b53a239634
·fabien on Feb 3 2015, 17:35.

Jan 20 2015

fixes bug introduced by commit 64b3616, get_performance was removed from…
29b3278d5651
·fabien on Jan 20 2015, 20:07.
Documentation for the adimensionalsystem and associates
056dfbdf23b9
·fabien on Jan 20 2015, 19:34.

Jan 19 2015

Documentation for specmicp::AdimensionalSystem
19d5b16cc3f1
·fabien on Jan 19 2015, 16:44.

Jan 15 2015

Prepare AdimensionalSystem environment for kinetics
c99feaa01903
·fabien on Jan 15 2015, 22:18.
Restart values for the concentration in AdimensionalSystem is now an…
a3c945176de8
·fabien on Jan 15 2015, 19:16.

Jan 14 2015

Add AdimensionalSystemSolutionModificator, to modify (scaling, removing solid…
26ecea65a83b
·fabien on Jan 14 2015, 00:18.

Jan 12 2015

use correct mmember functions in assert in AdimensionalSystem
cefbc702655c
·fabien on Jan 12 2015, 20:49.

Dec 19 2014

rename BC to constraints in AdimensionalSystem
030defdf3929
·fabien on Dec 19 2014, 20:04.
do not copy the solution in the solution extractor
681e327723b8
·fabien on Dec 19 2014, 19:31.

Dec 15 2014

improve documentation of AdimensionalSystem
6203177d8b3f
·fabien on Dec 15 2014, 19:57.
add WaterEquationType to the AdimensionalSystem
067602901bfb
·fabien on Dec 15 2014, 17:59.

Dec 9 2014

remove const keyword for the output member
110e0d72687e
·fabien on Dec 9 2014, 05:06.
correct AdimensionalSystemSolver : now, works with 2 or more non active…
481fe8a4b959
·fabien on Dec 9 2014, 04:40.

Dec 5 2014

Add EquilibriumCurve, base class to create ReactionPath model
d442c9ff39a3
·fabien on Dec 5 2014, 22:16.
add member to compute contribution to total concentration
3eec16ab89ba
·fabien on Dec 5 2014, 21:53.

Dec 3 2014

initialize gas fugacity using previous solution
49676e6dff97
·branch: adim
·fabien on Dec 3 2014, 20:34.
solve fix activity/fix fugacity problems
4492a6f8382a
·fabien on Dec 3 2014, 20:29.
add handling of fugacity in AdimensionalSystemSolution
c714d768185e
·fabien on Dec 3 2014, 20:28.

specmicp/src/specmicp/adimensionalmaster4bb92b2d2b3f3085aca3ad5…

Sep 29 2015

Sep 26 2015

Sep 14 2015

Sep 9 2015

Aug 11 2015

Jul 20 2015

Jul 17 2015

Jul 13 2015

Jun 25 2015

Jun 22 2015

Jun 10 2015

Jun 9 2015

Jun 2 2015

May 13 2015

May 5 2015

May 3 2015

May 1 2015

Apr 30 2015

Apr 28 2015

Apr 27 2015

Apr 23 2015

Apr 21 2015

Apr 20 2015

Apr 16 2015

Apr 15 2015

Apr 12 2015

Apr 11 2015

Apr 10 2015

Apr 8 2015

Apr 1 2015

Mar 31 2015

Mar 27 2015

Mar 26 2015

Mar 25 2015

Mar 17 2015

Mar 13 2015

Feb 28 2015

Feb 27 2015

Feb 25 2015

Feb 24 2015

Feb 23 2015

Feb 17 2015

Feb 16 2015

Feb 13 2015

Feb 10 2015

Feb 6 2015

Feb 3 2015

Jan 20 2015

Jan 19 2015

Jan 15 2015

Jan 14 2015

Jan 12 2015

Dec 19 2014

Dec 15 2014

Dec 9 2014

Dec 5 2014

Dec 3 2014

specmicp/src/specmicp/adimensional
master4bb92b2d2b3f3085aca3ad5…