Diffusion SpecMiCP / ReactMiCP (master) History

specmicp
mastercb15e034fead16566b25014…

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 11 2015

improve AdimKinetic(Euler)Solver, choose DormandPrince as the ODE integrator
26182c883bf1
·fabien on Feb 11 2015, 14:37.

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.
add kinetics solver for the AdimensionalSystem (issue #15), TO TEST
a388607362fe
·fabien on Feb 10 2015, 02:18.

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 16 2015

documentation
b2bda1a419fd
·fabien on Jan 16 2015, 18:50.

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…
c3c6d4e7ad1c
·fabien on Dec 9 2014, 04:46.
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.
Add better handling of boundary conditions, toward the inclusion of fixed…
32144b0c32f5
·fabien on Dec 3 2014, 16:59.

Dec 2 2014

More flexible struct to choose equation type for aqueous type in the…
f5fae35bcbf9
·fabien on Dec 2 2014, 23:38.
add non fixed fugacity gas
3cd1304c75d9
·fabien on Dec 2 2014, 22:42.
add AdimensionalSystemOptions, like ReducedSystemOptions
0b629aa5b824
·fabien on Dec 2 2014, 19:47.

Dec 1 2014

add options for reduced system
96b7b4f73361
·fabien on Dec 1 2014, 17:38.

Nov 23 2014

add a method to check if there is any solid in the speciation solution
fd81222c02eb
·fabien on Nov 23 2014, 22:03.

Nov 22 2014

correct compilation error link to namespace
0d2b686c39c7
·fabien on Nov 22 2014, 19:46.
small corrections in specmicp ReducedSystem and associate
3a8861713bdf
·fabien on Nov 22 2014, 19:25.
Add AdimensionnalSystemSolutionExtractor
1449c5f7ed20
·fabien on Nov 22 2014, 19:24.

Nov 21 2014

include decimeter into computation, + better restarting guess
225e2990dde6
·fabien on Nov 21 2014, 16:48.
improve problem solver
7976b7effc36
·fabien on Nov 21 2014, 16:12.

Nov 20 2014

add solver for Adimensional system and Dissolver, to set up problem
d1998e3678d3
·fabien on Nov 20 2014, 02:41.

Nov 19 2014

rename adim into adimensional system
e2078e2d32ae
·fabien on Nov 19 2014, 16:42.
Remove unused header file in Reduced system
9192af49fe62
·fabien on Nov 19 2014, 16:24.
add support for units in adimensional system
99eb486901e6
·fabien on Nov 19 2014, 16:21.

Nov 18 2014

implementation of adimensional system and test
477470dc6bc8
·fabien on Nov 18 2014, 23:54.

Nov 16 2014

Correct/improve equilibrium data
6da64e226377
·fabien on Nov 16 2014, 19:55.

Nov 11 2014

improve kinetic system
86887f7bc2f2
·fabien on Nov 11 2014, 22:03.
add computation of total concentrations in equilibrium data
05109a387e26
·fabien on Nov 11 2014, 22:02.

Nov 7 2014

add kinetic solver - to be improved
bc9b1984b554
·fabien on Nov 7 2014, 19:07.

Oct 28 2014

start implementing kinetics solver
2f65d5a63c08
·fabien on Oct 28 2014, 20:44.

Oct 26 2014

add explicit charge conservation in ReducedSystem
bbb049d91863
·fabien on Oct 26 2014, 19:16.

Oct 22 2014

correct equilibrium_date (int -> index_t)
7135b65ac516
·fabien on Oct 22 2014, 17:43.

Oct 21 2014

lots of small corrections
7009d71a1296
·fabien on Oct 21 2014, 21:38.

Oct 10 2014

adapt reduce_system_Solver to allow minerals that can't dissolve
f42f76860daf
·fabien on Oct 10 2014, 20:07.

Oct 6 2014

delete previous files added by mistake
a70d03795fe6
·fabien on Oct 6 2014, 21:17.
update database, micpsolver and specmicp to use common.hpp
c7ac0a493911
·fabien on Oct 6 2014, 21:13.
modify equilibrium data so it uses the new common.hpp
a04acf96600a
·fabien on Oct 6 2014, 15:31.

Oct 1 2014

add scaling method in EquilibriumState
f0bae6f199e0
·fabien on Oct 1 2014, 19:34.

Sep 28 2014

update and coupling utils in SIASaturatedVariables
a68894083238
·fabien on Sep 28 2014, 20:16.

Sep 26 2014

allow the non-conservation of water in reaction_path/reduce_system
6110aa030886
·fabien on Sep 26 2014, 16:44.

Sep 21 2014

add a few methods to EquilibriumState
26456e9e2cd2
·fabien on Sep 21 2014, 21:00.
Correct bug in ionic strength computation in Reducedsystem
8a4ab92c89b3
·fabien on Sep 21 2014, 20:54.

Sep 10 2014

correction of bugs due to merging, also use new database range_* function in…
141e6db490b4
·fabien on Sep 10 2014, 03:54.
Merge branch 'reactivetransport'
fe4a3c6ffe37
·fabien on Sep 10 2014, 03:39.
remove thermodata.hpp, use DataContainer in reduced solver
8d16e3a0c811
·fabien on Sep 10 2014, 03:35.
introducing DiffusionSecondary for activity coefficient and concentration of…
f1b23f04d9ad
·fabien on Sep 10 2014, 02:12.
move and improve equation numbering for diffusion reactive transport system
e0f20360e06e
·fabien on Sep 10 2014, 02:12.

Sep 9 2014

The python interface is able to solve the first step of thermocarbo
f89b95873e65
·fabien on Sep 9 2014, 17:25.

Sep 8 2014

Starting the work on the reaction path solver
5d71ccc1da23
·fabien on Sep 8 2014, 23:29.

Sep 5 2014

reintroduce the old solver, for a ~working min solver
54f50e62ff4b
·fabien on Sep 5 2014, 19:25.
check if mineral species contribute to total concentration
b9fd53649f8f
·fabien on Sep 5 2014, 19:20.

specmicp/src/specmicpmastercb15e034fead16566b25014…

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 11 2015

Feb 10 2015

Feb 6 2015

Feb 3 2015

Jan 20 2015

Jan 19 2015

Jan 16 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

Dec 2 2014

Dec 1 2014

Nov 23 2014

Nov 22 2014

Nov 21 2014

Nov 20 2014

Nov 19 2014

Nov 18 2014

Nov 16 2014

Nov 11 2014

Nov 7 2014

Oct 28 2014

Oct 26 2014

Oct 22 2014

Oct 21 2014

Oct 10 2014

Oct 6 2014

Oct 1 2014

Sep 28 2014

Sep 26 2014

Sep 21 2014

Sep 10 2014

Sep 9 2014

Sep 8 2014

Sep 5 2014

specmicp/src/specmicp
mastercb15e034fead16566b25014…