Diffusion SpecMiCP / ReactMiCP (specmicp_bin) History

History
specmicp_bin9cf41f6dfb45d522fc76df6…

Feb 28 2015

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

Feb 27 2015

update Cmakelist, better treatments of compilation flags
a7efb1b1706d
·fabien on Feb 27 2015, 18:16.
Add a simple io library to output data
bf7a37fc71e9
·fabien on Feb 27 2015, 17:36.
Use the new timer class in the reactive transport solver
39c9426c395d
·fabien on Feb 27 2015, 17:34.
Add a simple timer class
10ab4cafbaa0
·fabien on Feb 27 2015, 17:32.
Add a validity check (just print warning and or error for the PCFM method…
bddaf0d936da
·fabien on Feb 27 2015, 16:02.

Feb 26 2015

When possible only factorize the matrix, without analysing the pattern again…
38a97fbd2242
·fabien on Feb 26 2015, 16:21.
Separate the analysePattern and factorization part of the sparse matrix…
53237ab864d3
·fabien on Feb 26 2015, 16:10.
save the ndf in the transport program and set inline
f7c3cd7d6b9b
·fabien on Feb 26 2015, 15:21.
Minor update in the Momas benchmark database
ef1c9b4db70b
·fabien on Feb 26 2015, 04:19.
Add a generic 1D mesh, issue #13
339c6d31875f
·fabien on Feb 26 2015, 04:09.
add a timer in the reactive transport solver to obtain more information about…
9417b8aab783
·fabien on Feb 26 2015, 04:06.

Feb 25 2015

Correct the AdimensionalSystem jacobian, fixes issue #29
0b1682bb59f9
·fabien on Feb 25 2015, 23:46.
Add a member to update the parameter in ExponentialMovingAverage:
5cde60cd6d35
·fabien on Feb 25 2015, 22:11.
add a variadic template for custom initialization of the opn class in Option…
327e2020bb5c
·fabien on Feb 25 2015, 22:10.
update momas example:
67ebd8dda96d
·fabien on Feb 25 2015, 22:07.
obtain chemistry error in reactive transport solver, fixes issue #16
7ea49ff12a15
·fabien on Feb 25 2015, 22:07.
add an adaptative timestepper algorithm
e403516d3274
·fabien on Feb 25 2015, 22:05.
update momas benchmark
4acc10bf1dca
·fabien on Feb 25 2015, 17:44.
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

Update examples : Leaching and MoMas speciation computation
998871ce7287
·branch: reactivetransport
·fabien on Feb 23 2015, 20:17.
Use the immobile concentration instead of the solid concentration, include the…
602cfb4f2886
·fabien on Feb 23 2015, 20:17.
Add an example for the reactive transport solver : solve the MoMas reactive…
f0c4c3073b56
·fabien on Feb 23 2015, 20:17.
Add the possibility to use a different constraints for each node
6a53d7d1a970
·fabien on Feb 23 2015, 20:17.
Do not compute speciation for a component if the total concentration is <1e-10
7c8016b56303
·fabien on Feb 23 2015, 20:17.
Solve the advection problem with the upstream scheme
912b33a4f6ec
·fabien on Feb 23 2015, 20:17.
Add the possibility to add slave nodes to the problem in saturated_react. Slave…
3013f5ef096c
·fabien on Feb 23 2015, 20:17.
Prepare the saturated_react system to solve advection problem
8c6fd9361771
·fabien on Feb 23 2015, 20:17.
Initialise the reactive transport solver Preformance struct
a162fe6f75cd
·fabien on Feb 23 2015, 20:17.
add an error message when linesearch cannot find a step bigger than the minimum…
6773a29706c7
·fabien on Feb 23 2015, 20:17.
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.
correct tests for AdimensionalSystem &co, add test for the PCFM method
aa478c67960b
·fabien on Feb 23 2015, 04:21.
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 22 2015

Add a memebr to the meshes to obtain the position of a node
fc5372845077
·fabien on Feb 22 2015, 22:27.
Add two functions in DatabaseSelector : - Remove all minerals in the…
dd2b91d3795d
·fabien on Feb 22 2015, 22:18.

Feb 17 2015

add relevant citations in the doxygen citation.bib file
5428e191095b
·fabien on Feb 17 2015, 04:53.
add the pcfm methods in the CMakeList.txt file
7ce05df64442
·fabien on Feb 17 2015, 04:51.
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 a check in database reader to ensure the the number of sites occupied by a…
5546ccd49e01
·fabien on Feb 16 2015, 18:28.
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.
Modify debug information messages so they also give the expected value
422798ba5085
·fabien on Feb 16 2015, 15:16.

Feb 13 2015

Update test and examples of AdimensionalSystem to agree with commit 987ce30
60c8038a6ab2
·fabien on Feb 13 2015, 16:20.
Modify sorped species calculation, add a specific equation. Free sorption sites…
987ce3089fb7
·fabien on Feb 13 2015, 16:18.
update MoMas benchmark database to agree with commit a8c4203
e19767784417
·fabien on Feb 13 2015, 16:14.
Free sorption sites is no longer a component
a8c4203fea6b
·fabien on Feb 13 2015, 16:13.

Feb 11 2015

add some simple tests for AdimKinetics, will add more in the future
9a4089e18a62
·branch: kinetics
·fabien on Feb 11 2015, 15:01.
add a AdimensionalSolver examples / with kinetics
8c94dee2ed89
·fabien on Feb 11 2015, 15:00.
Add the database for the MoMas benchmark, maybe use for other test too
965036a9c569
·fabien on Feb 11 2015, 14:56.
No Ca/Al/SO2 at the boundary, seems to work much better
5b397acac2a4
·fabien on Feb 11 2015, 14:50.
reduce maximum step lenght in adim tests/to match others, remove a cycling…
f683d9d25c24
·fabien on Feb 11 2015, 14:39.
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.
modification in units::convert_pressure to avoir compiler warning
7ac65cc8ee32
·fabien on Feb 10 2015, 20:53.
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.
add support for sorped species in the database
298190351669
·fabien on Feb 10 2015, 15:22.
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

remove unused struct from saturated_react
a0d7a916d1a1
·fabien on Feb 6 2015, 20:45.
start updating the cython interface
9be560f1edb0
·fabien on Feb 6 2015, 14:46.
update ex_reactmicp_leaching
9ea6b8ee2396
·fabien on Feb 6 2015, 14:32.
correct AdimensionalSystemSolutionExtractor::log_molality_component for water
47a6cfb7136d
·fabien on Feb 6 2015, 14:28.

Feb 5 2015

add a generic Axisymmetric 1D mesh class, in process of resolving issue #13
113faa16267a
·fabien on Feb 5 2015, 21:11.

Feb 4 2015

update examples
7a9771634f6a
·fabien on Feb 4 2015, 14:16.

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

Correct complaints of valgrind-memcheck abount non-initialized values
c0560e3c1407
·fabien on Jan 20 2015, 22:56.
fixes issue #19, The desctructor of SparseSolverBase was not virtual
f494edc15db3
·fabien on Jan 20 2015, 22:06.
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.
documentation and test for the MiCP solver
64b3616eea48
·fabien on Jan 20 2015, 16:37.
Update/improve documentation for the reactmicp::solver namespace and its members
ecc0663ea7ef
·fabien on Jan 20 2015, 15:46.

Jan 19 2015

move test of ODEint solvers from the Cxxtest to the Catch framework, fixes…
78be35d16fbe
·fabien on Jan 19 2015, 19:14.
move micpsolver tests to the Catch framework, instead of the CxxTest framework
8f33b9c54fdb
·fabien on Jan 19 2015, 18:51.
issue #8, all tests compiles
a4ba90c69915
·fabien on Jan 19 2015, 17:22.
all the examples compile correctly
e10c1ed3491b
·fabien on Jan 19 2015, 16:55.
Documentation for specmicp::AdimensionalSystem
19d5b16cc3f1
·fabien on Jan 19 2015, 16:44.
issue #4, change MULTILINE_CPP_BRIEF to NO in the doxygen configuration file
070e54dc9d24
·fabien on Jan 19 2015, 16:44.

Jan 18 2015

include <iostream> for the GMRES solver,m issue #17
14f16a9d1764
·fabien on Jan 18 2015, 00:04.

Jan 17 2015

update dfpmsolver::ParabolicDriver to use the new SparseSolvers of commit…
ef2d31ec34ae
·fabien on Jan 17 2015, 22:35.
modify the sparse solver module to resolve issue #11
a247fbc100c4
·fabien on Jan 17 2015, 22:34.

Jan 16 2015

Recode database test to use the Catch framework instead of CxxTest
bb1015b50ad5
·fabien on Jan 16 2015, 23:03.
Remove test for the OneStepImplicit saturated diffusion system
b7869e7de918
·fabien on Jan 16 2015, 21:37.
documentation
b2bda1a419fd
·fabien on Jan 16 2015, 18:50.
Remove the one step reactive transport system - don't work, don't compile
b9a808db21fb
·branch: fixpoint
·fabien on Jan 16 2015, 16:38.

Historyspecmicp_bin9cf41f6dfb45d522fc76df6…

Feb 28 2015

Feb 27 2015

Feb 26 2015

Feb 25 2015

Feb 24 2015

Feb 23 2015

Feb 22 2015

Feb 17 2015

Feb 16 2015

Feb 13 2015

Feb 11 2015

Feb 10 2015

Feb 6 2015

Feb 5 2015

Feb 4 2015

Feb 3 2015

Jan 20 2015

Jan 19 2015

Jan 18 2015

Jan 17 2015

Jan 16 2015

History
specmicp_bin9cf41f6dfb45d522fc76df6…