specmicp/srcmaster
specmicp/src
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
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4338212826c9 | fabien | Add a function in AdimensionalSystem that return the surface sorption model | Feb 23 2015 | |||
fc5372845077 | fabien | Add a memebr to the meshes to obtain the position of a node | Feb 22 2015 | |||
dd2b91d3795d | fabien | Add two functions in DatabaseSelector : - Remove all minerals in the… | Feb 22 2015 | |||
2d49c2d3302a | fabien | include the pcfm method to the AdimensionalSystemSolver | Feb 17 2015 | |||
c7608a0ce239 | fabien | Add AdimensionalSystemPCFM, a class to precondition an aqeous solver using the… | Feb 17 2015 | |||
8ecff9b7f967 | fabien | Documentation for AdimensionalSystem | Feb 17 2015 | |||
5546ccd49e01 | fabien | add a check in database reader to ensure the the number of sites occupied by a… | Feb 16 2015 | |||
08d31233017d | fabien | add numbering of secodnary species and activity coefficients in… | Feb 16 2015 | |||
2e391aab5671 | fabien | Add functions for custom initialisation of the main variables | Feb 16 2015 | |||
78836305e4b0 | fabien | reuse already defined function to compute the total solid concentration of a… | Feb 16 2015 | |||
680ccde7e3f4 | fabien | Use the new AdimensionalSystemNumbering Base clase in the… | Feb 16 2015 | |||
31d88c30dde8 | fabien | externalize the dof numberign of the AdimensionalSystem, so it can be used by… | Feb 16 2015 | |||
5e7f42ca25c3 | fabien | The main variable for the free surface concentration is now a the log_10 of the… | Feb 16 2015 | |||
422798ba5085 | fabien | Modify debug information messages so they also give the expected value | Feb 16 2015 | |||
987ce3089fb7 | fabien | Modify sorped species calculation, add a specific equation. Free sorption sites… | Feb 13 2015 | |||
a8c4203fea6b | fabien | Free sorption sites is no longer a component | Feb 13 2015 | |||
26182c883bf1 | fabien | improve AdimKinetic(Euler)Solver, choose DormandPrince as the ODE integrator | Feb 11 2015 | |||
8ec8f50ef0fa | fabien | small corrections for the adimensional system with the new sorbed species | Feb 10 2015 | |||
7ac65cc8ee32 | fabien | modification in units::convert_pressure to avoir compiler warning | Feb 10 2015 | |||
1af9208c7a4c | fabien | add support for sorbed species in AdmiensionalSystem | Feb 10 2015 | |||
513ba6bd0ef3 | fabien | correct jacobian for the water equation in AdimensionalSystem, fixes issue #25 | Feb 10 2015 | |||
298190351669 | fabien | add support for sorped species in the database | Feb 10 2015 | |||
9290bd437d11 | fabien | small enhancements of specmicp | Feb 10 2015 | |||
835f7071e071 | fabien | add a boolean to check that the solution has been initialized | Feb 10 2015 | |||
c0917faf9b6a | fabien | allow custom initialisation | Feb 10 2015 | |||
a388607362fe | fabien | add kinetics solver for the AdimensionalSystem (issue #15), TO TEST | Feb 10 2015 | |||
a0d7a916d1a1 | fabien | remove unused struct from saturated_react | Feb 6 2015 | |||
47a6cfb7136d | fabien | correct AdimensionalSystemSolutionExtractor::log_molality_component for water | Feb 6 2015 | |||
113faa16267a | fabien | add a generic Axisymmetric 1D mesh class, in process of resolving issue #13 | Feb 5 2015 | |||
cd36fb74436f | fabien | correct typo in residual water in AdimensionalSystem, fixes bug #20 | Feb 3 2015 | |||
86c34c364f68 | fabien | add scaling for the AdimensionalSystem, fixes issue #23 | Feb 3 2015 | |||
50b53a239634 | fabien | correct pressure contribution in specmicp, fixes issue #24 | Feb 3 2015 | |||
c0560e3c1407 | fabien | Correct complaints of valgrind-memcheck abount non-initialized values | Jan 20 2015 | |||
f494edc15db3 | fabien | fixes issue #19, The desctructor of SparseSolverBase was not virtual | Jan 20 2015 | |||
29b3278d5651 | fabien | fixes bug introduced by commit 64b3616, get_performance was removed from… | Jan 20 2015 | |||
056dfbdf23b9 | fabien | Documentation for the adimensionalsystem and associates | Jan 20 2015 | |||
64b3616eea48 | fabien | documentation and test for the MiCP solver | Jan 20 2015 | |||
ecc0663ea7ef | fabien | Update/improve documentation for the reactmicp::solver namespace and its members | Jan 20 2015 | |||
a4ba90c69915 | fabien | issue #8, all tests compiles | Jan 19 2015 | |||
19d5b16cc3f1 | fabien | Documentation for specmicp::AdimensionalSystem | Jan 19 2015 | |||
14f16a9d1764 | fabien | include <iostream> for the GMRES solver,m issue #17 | Jan 18 2015 | |||
ef2d31ec34ae | fabien | update dfpmsolver::ParabolicDriver to use the new SparseSolvers of commit… | Jan 17 2015 | |||
a247fbc100c4 | fabien | modify the sparse solver module to resolve issue #11 | Jan 17 2015 | |||
b2bda1a419fd | fabien | documentation | Jan 16 2015 | |||
b9a808db21fb | fabien | Remove the one step reactive transport system - don't work, don't compile | Jan 16 2015 | |||
9fc5d580b72b | fabien | Do not update variables if EquilibriumSolver has not converged | Jan 16 2015 | |||
c99feaa01903 | fabien | Prepare AdimensionalSystem environment for kinetics | Jan 15 2015 | |||
c4a87185190b | fabien | add member function in database::Database to keep only certain minerals (given… | Jan 15 2015 | |||
a3c945176de8 | fabien | Restart values for the concentration in AdimensionalSystem is now an… | Jan 15 2015 | |||
d4ae324ea89d | fabien | Improvements/bug correction in the saturated react system | Jan 14 2015 | |||
26ecea65a83b | fabien | Add AdimensionalSystemSolutionModificator, to modify (scaling, removing solid… | Jan 14 2015 | |||
0bedb6497e35 | fabien | add more test for saturated_react system, correct bugs | Jan 12 2015 | |||
1d57790e5b76 | fabien | Minor\ corrections in SaturatedReact systems | Jan 12 2015 | |||
55b82d2b1e21 | fabien | A return code was missing in ReactiveTransportSolver::solve_one_iteration | Jan 12 2015 | |||
cefbc702655c | fabien | use correct mmember functions in assert in AdimensionalSystem | Jan 12 2015 | |||
87604b01bf0d | fabien | Set the return code to the correct value if linesearch has failed in MiCPsolver | Jan 12 2015 | |||
3c484d96fa9b | fabien | Start the work on the new SaturatedDiffusion systems for the new reactive… | Jan 12 2015 | |||
edab8e64cbc6 | fabien | Correct typo in reactmicp::solver::StaggerReturnCode | Jan 12 2015 | |||
17ac62383dd7 | fabien | improve reactive transport solver | Jan 10 2015 | |||
6f21451dd340 | fabien | Improve reactive transport solver | Jan 9 2015 | |||
a19ce13e1a11 | fabien | add foundations of the flexible reactive transport solver | Jan 9 2015 | |||
1bd7817be013 | fabien | update reactmicp/equilibrium_curve to agree with commit 030defd, rename BC to… | Dec 19 2014 | |||
030defdf3929 | fabien | rename BC to constraints in AdimensionalSystem | Dec 19 2014 | |||
681e327723b8 | fabien | do not copy the solution in the solution extractor | Dec 19 2014 | |||
6dd908c529b8 | fabien | use previous flux in reactive transport - do not work | Dec 16 2014 | |||
2898b6821462 | fabien | use correct density at 25C | Dec 16 2014 | |||
6203177d8b3f | fabien | improve documentation of AdimensionalSystem | Dec 15 2014 | |||
067602901bfb | fabien | add WaterEquationType to the AdimensionalSystem | Dec 15 2014 | |||
2c8f021cdfeb | fabien | improve MiCPsolver, making it possible to disable condition estimation | Dec 15 2014 | |||
4adc6181a531 | fabien | add coupler, extractor for equilibrium | Dec 12 2014 | |||
bde740772827 | fabien | correct size management of the array in Chemictry equilibrium curve | Dec 12 2014 | |||
3a5d25312f42 | fabien | improve transport program of reactive transport | Dec 12 2014 | |||
e1c6af4f4f1b | fabien | improve 1D diffusion problem | Dec 12 2014 | |||
2c221cb0eb9a | fabien | add member to compute volume of a cell inside an element | Dec 11 2014 | |||
ad85c18048cb | fabien | correct includes in dfpm/types.hpp header | Dec 11 2014 | |||
f96d0f24dfe0 | fabien | start implementation of EquilibriumCurve approad to reactive transport | Dec 9 2014 | |||
110e0d72687e | fabien | remove const keyword for the output member | Dec 9 2014 | |||
44f3acfa1b25 | fabien | correct coupling, update water in speciation solver to keep saturation at 1 | Dec 9 2014 | |||
cc470b429ffa | fabien | start implementation of 1d diffusion | Dec 9 2014 | |||
f1765f058b94 | fabien | defaults value for epsilon_jacobian in src/common.hpp | Dec 9 2014 | |||
c3c6d4e7ad1c | fabien | correct AdimensionalSystemSolver : now, works with 2 or more non active… | Dec 9 2014 | |||
481fe8a4b959 | fabien | correct AdimensionalSystemSolver : now, works with 2 or more non active… | Dec 9 2014 | |||
2f7ca0ac5ea7 | fabien | add member 'get_units' in units::UnitsBaseClass | Dec 9 2014 | |||
511a07d7f37c | fabien | add the dfpm module, generic finite volume module, move meshes to dfpm | Dec 7 2014 | |||
d442c9ff39a3 | fabien | Add EquilibriumCurve, base class to create ReactionPath model | Dec 5 2014 | |||
3eec16ab89ba | fabien | add member to compute contribution to total concentration | Dec 5 2014 | |||
49676e6dff97 | fabien | initialize gas fugacity using previous solution | Dec 3 2014 | |||
4492a6f8382a | fabien | solve fix activity/fix fugacity problems | Dec 3 2014 | |||
c714d768185e | fabien | add handling of fugacity in AdimensionalSystemSolution | Dec 3 2014 | |||
670db7099f20 | fabien | add member 'gas_label_to_id' in DatabaseModule to retrieve id of a gas | Dec 3 2014 | |||
32144b0c32f5 | fabien | Add better handling of boundary conditions, toward the inclusion of fixed… | Dec 3 2014 | |||
f5fae35bcbf9 | fabien | More flexible struct to choose equation type for aqueous type in the… | Dec 2 2014 | |||
3cd1304c75d9 | fabien | add non fixed fugacity gas | Dec 2 2014 | |||
56e9b0f63246 | fabien | Add a method to remove all gases in the SelectorDatabase module | Dec 2 2014 | |||
0b629aa5b824 | fabien | add AdimensionalSystemOptions, like ReducedSystemOptions | Dec 2 2014 | |||
7cf040dc468d | fabien | add options for enabling/disabling solution of purely aqueous problem | Dec 2 2014 | |||
e2bd2e54f5c5 | fabien | don't compute speciation if there is no more mineral | Dec 1 2014 | |||
96b7b4f73361 | fabien | add options for reduced system | Dec 1 2014 | |||
bc007865d143 | fabien | add a class to compute exponential moving average | Dec 1 2014 | |||
32ec38c717c2 | fabien | try improving convergence | Nov 25 2014 |
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