Graphyaml/safe
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yaml/safe
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| f19180e3b265 | fabien | improving the CMake file to compile the python interface | Sep 9 2014 | ||||
| f401e32a96d2 | fabien | thermocarbo.py is running ok | Sep 9 2014 | ||||
| f89b95873e65 | fabien | The python interface is able to solve the first step of thermocarbo | Sep 9 2014 | ||||
| 5ece8356c796 | fabien | use shared_ptr instead of raw ptr in database module | Sep 9 2014 | ||||
| ba25334b0c65 | fabien | Wrapper for ReducedSystemSolverOptions | Sep 9 2014 | ||||
| 5d8bdeedf9e7 | fabien | complete ReactionPathSimulation | Sep 9 2014 | ||||
| 5d71ccc1da23 | fabien | Starting the work on the reaction path solver | Sep 8 2014 | ||||
| 3dbb26cb459b | fabien | comments and documentation | Sep 8 2014 | ||||
| 41ba8a2a83cb | fabien | create module specmicp and add unit tests | Sep 8 2014 | ||||
| 84dc444f1a49 | fabien | swapping components and removing minerals is now possible in python | Sep 8 2014 | ||||
| cc762abbb0d9 | fabien | first commit to cython branch, start interface for database | Sep 7 2014 | ||||
| 02c100013be0 | fabien | improve thermocarbo and carboalu test | Sep 5 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 | ||||
| 8da8a817bca6 | fabien | correction of C3S,C2S dissolution | 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 | ||||
| f58dc561296c | fabien | general documentation | 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 | ||||
| fdefa22a007e | fabien | Merge branch 'cleaning' | 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 | ||||
| f1b51879d2ec | georget | correct initialization of eigen solver - valgrind output is now ok | Jun 16 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 | ||||
| 589209012905 | georget | README.md edited online with Bitbucket | Jun 5 2014 | ||||
| f56e766e76f1 | georget | README.md edited online with Bitbucket | Jun 5 2014 | ||||
| f5ff5181ce69 | georget | add source file for data_container... | Jun 5 2014 | ||||
| 0c3c7d5946e5 | georget | add readme.md | 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 | ||||
| 7534f1230322 | georget | add test to develop kinetics | 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 | ||||
| 11eedde3292f | georget | Merge branch 'kinetics' of bitbucket.org:fabieng/specmicp into kinetics | May 29 2014 | ||||
| f71ccdc1dc33 | georget | start inplementing ode integrator | May 29 2014 | ||||
| f5c48f3f547f | georget | start works on kinetic | May 20 2014 | ||||
| 83765d524169 | georget | add example that computes supersaturation of C3S to obtain the kinetic rate… | May 20 2014 | ||||
| 1592526f1247 | georget | compute logIAP of a mineral - maybe to simplified | May 20 2014 | ||||
| 5cfa0ee7755d | georget | start works on kinetic | May 16 2014 | ||||
| 9969eeeae53a | georget | improve robusteness with respect to change in the database | May 16 2014 | ||||
| 1e8de8ef1a54 | georget | add Cl in database, correct logK for C3S C2S | May 16 2014 | ||||
| e25bc4143ef5 | georget | also select the correct minerals governed by kinetics | May 16 2014 | ||||
| d687b3784285 | georget | add a simulation of alkali activated cement - just a POC for now | May 15 2014 | ||||
| 7897b25a3aac | georget | add sodium into database | May 15 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 | ||||
| e54ec6d22bfb | georget | improve cemdata database - add references | Apr 30 2014 | ||||
| f55c50218084 | georget | improve convergence ? | Apr 30 2014 | ||||
| 27de60f482a7 | georget | deactivate non-active test | Apr 30 2014 | ||||
| 9c9b751a6b4b | georget | activate all species in cemdata database | 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 | ||||
| 6e170dc80e1e | georget | add minerals with kinetic flag | Apr 30 2014 | ||||
| cc6eba9f282d | georget | test last developments | Apr 29 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 | ||||
| 0ce1acd6f2e1 | georget | correction of the databe, set some phase to be inactive (should be in the code) | Apr 18 2014 | ||||
| 371ef7b904c2 | georget | modify thermocarbo, add carboalu | Apr 18 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 | ||||
| c1effab37d20 | georget | minor changes in thermocarbo | Apr 15 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 | ||||
| f1691b964fa6 | georget | more tests | 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 | ||||
| 201560830e3f | georget | thermocarbo : update to use new api, clean and all | Apr 11 2014 | ||||
| 4c6dfeae96da | georget | easier way to change a basis | Apr 11 2014 | ||||
| 38ae5d08d8c3 | georget | add aluminum case | 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 | ||||
| ce70030dc91e | georget | add aluminum and sulfate species | Apr 11 2014 |
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