Graphgasphase
Graph
gasphase
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 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 | ||||
| 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 | ||||
| aeac1a8c76e8 | georget | add test_kojima_min | 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 | ||||
| 2f0c6c03062a | georget | use the reaction path driver | Apr 9 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 | ||||
| 2bbd6b3a50f5 | georget | Thermocarbo : use the ReduccedSystemSolver | 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 | ||||
| fac9d726710f | georget | Set options in bulk | Apr 9 2014 | ||||
| 3001d89b9660 | georget | optimize reformulation of jacobian | Apr 9 2014 | ||||
| 50a966577063 | georget | separate struct and enum used by MiCPSolver in a different header | Apr 9 2014 | ||||
| a293c41b2539 | georget | database selector - remove components from the basis | Apr 9 2014 | ||||
| 7d4080d66303 | georget | take advantage of the desactivation of component to model the complete path… | Apr 8 2014 | ||||
| 0e5c208d1044 | georget | allow the desactivation of a component | Apr 8 2014 | ||||
| e4df9145f105 | georget | add access to labels for debug | Apr 8 2014 | ||||
| 132d6485ecf3 | georget | use new reduced system | Apr 8 2014 | ||||
| a19cea4818a7 | georget | a new reduced system, don't solve explicitely for secodnary aqueous… | Apr 8 2014 | ||||
| 918d946487c3 | georget | adapt extended system to new hook_start_iteration method | Apr 8 2014 | ||||
| c344ec429965 | georget | improve convergence, tune linesearch to accept a max lambda | Apr 8 2014 | ||||
| a29e40517129 | georget | move specmicp to extended_system | Apr 7 2014 | ||||
| c3557baf079a | georget | be careful of numerical issue when computing loggamma | Apr 7 2014 | ||||
| fb498d62c46c | georget | correct initialization of param_aq | Apr 7 2014 | ||||
| c551311e303e | georget | Documentations : citations and update | Apr 7 2014 | ||||
| 255520184d81 | georget | use cemdata database to perform the computation | Apr 6 2014 | ||||
| 5c657c42f5ad | georget | adapt thermodata interface to use database::DataContainer | Apr 6 2014 | ||||
| 4d14a2cc5b7e | georget | add database management - reducing to canonical form and swap basis | Apr 6 2014 | ||||
| d1005cb9e234 | georget | change name reader; allow non canonical form in database | Apr 6 2014 | ||||
| e12fbdcee6a7 | georget | new database | Apr 6 2014 | ||||
| 0ee505a85b4c | georget | add database | Apr 5 2014 |
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