specmicp/srcbin/unsaturated
specmicp/src
bin/unsaturated
History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 35e7d8aacfae | fabien | add residual and update norm in performance for micpsolver | Sep 26 2014 | |||
| 6110aa030886 | fabien | allow the non-conservation of water in reaction_path/reduce_system | Sep 26 2014 | |||
| 8342bd67907c | fabien | dfpmsolver, and saturated_diffusion program can be solved | Sep 26 2014 | |||
| b5fde6377526 | fabien | start working on SIA solver | Sep 25 2014 | |||
| f1c39bf54729 | fabien | reactive transport - fully implicit ... does not work | Sep 25 2014 | |||
| 90597818e3ba | fabien | towards a correct code ? | Sep 24 2014 | |||
| 68b7dab0dd3d | fabien | it works \o/ | Sep 21 2014 | |||
| 26456e9e2cd2 | fabien | add a few methods to EquilibriumState | Sep 21 2014 | |||
| 8a4ab92c89b3 | fabien | Correct bug in ionic strength computation in Reducedsystem | Sep 21 2014 | |||
| 8659642b7a98 | fabien | MiCPParabolicSolver runs, does not solve anything | Sep 11 2014 | |||
| 141e6db490b4 | fabien | correction of bugs due to merging, also use new database range_* function in… | Sep 10 2014 | |||
| fe4a3c6ffe37 | fabien | Merge branch 'reactivetransport' | Sep 10 2014 | |||
| 8d16e3a0c811 | fabien | remove thermodata.hpp, use DataContainer in reduced solver | Sep 10 2014 | |||
| d01a0c53637d | fabien | add the main diffusion system | Sep 10 2014 | |||
| f1b23f04d9ad | fabien | introducing DiffusionSecondary for activity coefficient and concentration of… | Sep 10 2014 | |||
| e0f20360e06e | fabien | move and improve equation numbering for diffusion reactive transport system | Sep 10 2014 | |||
| 43a8958938af | fabien | jacobian and residuals computation - not tested | Sep 10 2014 | |||
| 4873112352b5 | fabien | add range support in database::DataContainer | Sep 10 2014 | |||
| 54f4e1c465c9 | fabien | bug correction for diffusion system | Sep 10 2014 | |||
| b1dec92efd3e | fabien | first commit on branch reactivetransport | Sep 10 2014 | |||
| f89b95873e65 | fabien | The python interface is able to solve the first step of thermocarbo | Sep 9 2014 | |||
| 5d71ccc1da23 | fabien | Starting the work on the reaction path solver | Sep 8 2014 | |||
| 54f50e62ff4b | fabien | reintroduce the old solver, for a ~working min solver | Sep 5 2014 | |||
| b9fd53649f8f | fabien | check if mineral species contribute to total concentration | Sep 5 2014 | |||
| bcbf5078d653 | fabien | try helping convergence of min-FB linesearch algorithm - does not work | Sep 5 2014 | |||
| 07a62349e37e | fabien | use the activity for the pH, not the molality | Sep 1 2014 | |||
| d08941d1b3b4 | fabien | comment and docs for database modules | Aug 19 2014 | |||
| cdf13a8c9cff | fabien | comments and doc, correctition of bug in micpsolver no_scaling | Aug 19 2014 | |||
| 879414fa334f | fabien | comments and doc for reduced system solver | Aug 19 2014 | |||
| 510760a8471f | fabien | correct and add comments EquilibriumState | Aug 19 2014 | |||
| a583a91abe36 | fabien | comment and small refactoring for ReactionPathDriver | Aug 19 2014 | |||
| e9f68b0250c3 | fabien | simplify initialisation of reaction path driver | Aug 18 2014 | |||
| be84b355a07d | fabien | change copyright | Aug 18 2014 | |||
| 2555d4790cc7 | fabien | cleaning not working gasphase in reduce_system | Aug 18 2014 | |||
| 768489c0ad3e | fabien | after a long absence, start cleaning | Aug 18 2014 | |||
| fbc3b1f9f7c0 | georget | more small corrections and preparations for the gas phase | Jun 20 2014 | |||
| 881a9cd5b582 | georget | correct wrong activity coefficients in solution when ther is inactive components | Jun 19 2014 | |||
| e4061f7461ed | georget | Use 'full' warmstart to improve computation | Jun 18 2014 | |||
| 54afcac13afc | georget | Make sure that the activity coefficients are computed correctly - They are not ! | Jun 18 2014 | |||
| 9320d65b0bd7 | georget | start implementing the fixed volume problem | Jun 17 2014 | |||
| 191e81a7b47a | georget | separate common laws, constant and unit conversion in their own files | Jun 17 2014 | |||
| 4d7d50dc1a4f | georget | add some constants and trivial laws | Jun 17 2014 | |||
| 392b50f45f16 | georget | start support of gas phase in database | Jun 16 2014 | |||
| 2fba35c488d9 | georget | correct initialization of eigen solver - valgrind output is now ok | Jun 16 2014 | |||
| f5ff5181ce69 | georget | add source file for data_container... | Jun 5 2014 | |||
| b53f240bd6a4 | georget | everything compiles and run | Jun 5 2014 | |||
| 9bb9fb95bbcf | georget | add support for molar volume of minerals | Jun 5 2014 | |||
| bfff495f16bd | georget | add support for molar mass | Jun 5 2014 | |||
| 583c1a0f5574 | georget | clean directory before merging branch | Jun 4 2014 | |||
| 35b1899b35ba | georget | Improve EquilibriumState, use it in examples | Jun 4 2014 | |||
| 36b376748b48 | georget | add EquilibriumState to store and manage solution of equilibrium computation | Jun 4 2014 | |||
| 063a9f5832a7 | georget | correct bug in database - allow selection of components | Jun 3 2014 | |||
| f41982d51b13 | georget | adaptative step for embedded runge kutta | Jun 2 2014 | |||
| 0c026352549a | georget | change template parameter - less confusing | May 29 2014 | |||
| 563cc0253cc5 | georget | add support for DormandPrince method | May 29 2014 | |||
| f71ccdc1dc33 | georget | start inplementing ode integrator | May 29 2014 | |||
| f5c48f3f547f | georget | start works on kinetic | May 20 2014 | |||
| 1592526f1247 | georget | compute logIAP of a mineral - maybe to simplified | May 20 2014 | |||
| e25bc4143ef5 | georget | also select the correct minerals governed by kinetics | May 16 2014 | |||
| 843229b1b8a7 | georget | remove extended system and min function support in micpsolver | May 3 2014 | |||
| 7faccfcacb59 | georget | documentation | May 3 2014 | |||
| 6e931682987f | georget | add test when reading database, check for consistency of charges | May 1 2014 | |||
| f55c50218084 | georget | improve convergence ? | Apr 30 2014 | |||
| c0c6efecc588 | georget | use last development in databases modules | Apr 30 2014 | |||
| 68d4d285bf5e | georget | Add database module to keep only some minerals in equilibrium computation | Apr 30 2014 | |||
| fe85b199d55b | georget | add base class for database modules | Apr 30 2014 | |||
| 07e0e8497a80 | georget | allow dissolution of minerals and aqueous species | Apr 29 2014 | |||
| 2c2e886f02ce | georget | add support for kinetically governed minerals | Apr 29 2014 | |||
| 98612e6c3e19 | georget | add min-FB linesearch arlgorithm - does not work | Apr 29 2014 | |||
| 9ae71fb529cc | georget | Prepare the new min micpsolver | Apr 25 2014 | |||
| c69b6bbe42b8 | georget | modify the restarting strategy | Apr 18 2014 | |||
| 96cb0e494d88 | georget | correct computation of total aquoues concentration in the case where one… | Apr 18 2014 | |||
| a5a27e272923 | georget | use the max_factorization option in the no_Scaling solution | Apr 18 2014 | |||
| 3f9089b77fc2 | georget | reduce number of variables to the active set when the min function is used | Apr 15 2014 | |||
| c361bc90119b | georget | add an option to disallow automatic restart | Apr 15 2014 | |||
| e9fae70e5055 | georget | start working on a global algorithm for reaction path modeling | Apr 14 2014 | |||
| ce5e17f2cd94 | georget | initialisation | Apr 14 2014 | |||
| cfc0b7deec27 | georget | initialize variables | Apr 14 2014 | |||
| 89b65baa7e9a | georget | add 2 performance object together | Apr 12 2014 | |||
| 4c6dfeae96da | georget | easier way to change a basis | Apr 11 2014 | |||
| 3e40c915ae53 | georget | correct bug, enhance errors | Apr 11 2014 | |||
| be6d4801e493 | georget | correct bugs | Apr 11 2014 | |||
| 2ceac1e74674 | georget | also select aqueous parameters | Apr 11 2014 | |||
| 7a6b209cf0ce | georget | manage options a little better | Apr 11 2014 | |||
| a14a8bf5ce2c | georget | add options to limit the number of factorization step | Apr 11 2014 | |||
| 99cf67ee7b3c | georget | Choose the NCP-function to use | Apr 10 2014 | |||
| a8ca288cc7f5 | georget | add support for using min as a NCP-function | Apr 10 2014 | |||
| 16a46eb4411f | georget | works but slow | Apr 10 2014 | |||
| bebc0a28d0df | georget | better handling of non existing component | Apr 10 2014 | |||
| b75af9fe6fdc | georget | correction of perturbation and detection of stationary point (issue #3) | Apr 10 2014 | |||
| 2a2c40048cee | georget | move canonicalization and basis_switching to their own class, Database call… | Apr 10 2014 | |||
| 5d310946ccfe | georget | database : add invalid_database exception, move definition of exceptions in… | Apr 10 2014 | |||
| 98ef97febe79 | georget | add ReactionPathDriver - able to run | Apr 9 2014 | |||
| d38dc8a3264e | georget | add a defautl constructor | Apr 9 2014 | |||
| 9e86c2755aa3 | georget | change default value, best for our problems | Apr 9 2014 | |||
| bf4aba0306f5 | georget | different way to initialize a database | Apr 9 2014 | |||
| 26d44083fef7 | georget | Add the class ReducedSystemSolver, interface to solve a ReducedSystem | Apr 9 2014 | |||
| b2b3619c1e93 | georget | Add a method to return the list of non active components | Apr 9 2014 | |||
| cc06c8c7b905 | georget | Database can now remove some components (and the corresponding species) from… | Apr 9 2014 | |||
| a17e5379d078 | georget | Thermodata may need to return the raw database | Apr 9 2014 |
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