Diffusion SpecMiCP / ReactMiCP (dev) History

History
dev5ece8356c796c5ef9913c28…

Sep 9 2014

use shared_ptr instead of raw ptr in database module
5ece8356c796
·fabien on Sep 9 2014, 16:06.
Wrapper for ReducedSystemSolverOptions
ba25334b0c65
·fabien on Sep 9 2014, 05:04.
complete ReactionPathSimulation
5d8bdeedf9e7
·fabien on Sep 9 2014, 00:14.

Sep 8 2014

Starting the work on the reaction path solver
5d71ccc1da23
·fabien on Sep 8 2014, 23:29.
comments and documentation
3dbb26cb459b
·fabien on Sep 8 2014, 21:28.
create module specmicp and add unit tests
41ba8a2a83cb
·fabien on Sep 8 2014, 21:05.
swapping components and removing minerals is now possible in python
84dc444f1a49
·fabien on Sep 8 2014, 19:10.

Sep 7 2014

first commit to cython branch, start interface for database
cc762abbb0d9
·fabien on Sep 7 2014, 05:20.

Sep 5 2014

improve thermocarbo and carboalu test
02c100013be0
·fabien on Sep 5 2014, 19:26.
reintroduce the old solver, for a ~working min solver
54f50e62ff4b
·fabien on Sep 5 2014, 19:25.
check if mineral species contribute to total concentration
b9fd53649f8f
·fabien on Sep 5 2014, 19:20.
try helping convergence of min-FB linesearch algorithm - does not work
bcbf5078d653
·fabien on Sep 5 2014, 19:18.
correction of C3S,C2S dissolution
8da8a817bca6
·fabien on Sep 5 2014, 19:17.

Sep 1 2014

use the activity for the pH, not the molality
07a62349e37e
·fabien on Sep 1 2014, 16:06.

Aug 19 2014

comment and docs for database modules
d08941d1b3b4
·fabien on Aug 19 2014, 17:33.
general documentation
f58dc561296c
·fabien on Aug 19 2014, 15:37.
comments and doc, correctition of bug in micpsolver no_scaling
cdf13a8c9cff
·fabien on Aug 19 2014, 15:07.
comments and doc for reduced system solver
879414fa334f
·fabien on Aug 19 2014, 14:33.
correct and add comments EquilibriumState
510760a8471f
·fabien on Aug 19 2014, 04:37.
comment and small refactoring for ReactionPathDriver
a583a91abe36
·fabien on Aug 19 2014, 04:19.

Aug 18 2014

simplify initialisation of reaction path driver
e9f68b0250c3
·fabien on Aug 18 2014, 19:35.
Merge branch 'cleaning'
fdefa22a007e
·fabien on Aug 18 2014, 16:52.
change copyright
be84b355a07d
·fabien on Aug 18 2014, 16:50.
cleaning not working gasphase in reduce_system
2555d4790cc7
·fabien on Aug 18 2014, 16:23.
after a long absence, start cleaning
768489c0ad3e
·fabien on Aug 18 2014, 16:07.

Jun 20 2014

more small corrections and preparations for the gas phase
fbc3b1f9f7c0
·georget on Jun 20 2014, 16:31.

Jun 19 2014

correct wrong activity coefficients in solution when ther is inactive components
881a9cd5b582
·branch: gasphase
·georget on Jun 19 2014, 16:22.

Jun 18 2014

Use 'full' warmstart to improve computation
e4061f7461ed
·georget on Jun 18 2014, 23:04.
Make sure that the activity coefficients are computed correctly - They are not !
54afcac13afc
·georget on Jun 18 2014, 23:00.

Jun 17 2014

start implementing the fixed volume problem
9320d65b0bd7
·georget on Jun 17 2014, 22:31.
separate common laws, constant and unit conversion in their own files
191e81a7b47a
·georget on Jun 17 2014, 22:29.
add some constants and trivial laws
4d7d50dc1a4f
·georget on Jun 17 2014, 15:47.

Jun 16 2014

correct initialization of eigen solver - valgrind output is now ok
f1b51879d2ec
·georget on Jun 16 2014, 21:42.
start support of gas phase in database
392b50f45f16
·georget on Jun 16 2014, 21:36.
correct initialization of eigen solver - valgrind output is now ok
2fba35c488d9
·georget on Jun 16 2014, 21:34.

Jun 5 2014

README.md edited online with Bitbucket
589209012905
·georget on Jun 5 2014, 20:51.
README.md edited online with Bitbucket
f56e766e76f1
·georget on Jun 5 2014, 20:51.
add source file for data_container...
f5ff5181ce69
·georget on Jun 5 2014, 20:43.
add readme.md
0c3c7d5946e5
·georget on Jun 5 2014, 20:43.
everything compiles and run
b53f240bd6a4
·georget on Jun 5 2014, 20:15.
add support for molar volume of minerals
9bb9fb95bbcf
·georget on Jun 5 2014, 17:24.
add support for molar mass
bfff495f16bd
·georget on Jun 5 2014, 05:15.

Jun 4 2014

clean directory before merging branch
583c1a0f5574
·georget on Jun 4 2014, 23:59.
Improve EquilibriumState, use it in examples
35b1899b35ba
·georget on Jun 4 2014, 23:46.
add EquilibriumState to store and manage solution of equilibrium computation
36b376748b48
·georget on Jun 4 2014, 19:40.
add test to develop kinetics
7534f1230322
·georget on Jun 4 2014, 15:11.

Jun 3 2014

correct bug in database - allow selection of components
063a9f5832a7
·georget on Jun 3 2014, 16:05.

Jun 2 2014

adaptative step for embedded runge kutta
f41982d51b13
·georget on Jun 2 2014, 19:07.

May 29 2014

change template parameter - less confusing
0c026352549a
·georget on May 29 2014, 21:46.
add support for DormandPrince method
563cc0253cc5
·georget on May 29 2014, 21:09.
Merge branch 'kinetics' of bitbucket.org:fabieng/specmicp into kinetics
11eedde3292f
·georget on May 29 2014, 20:09.
start inplementing ode integrator
f71ccdc1dc33
·georget on May 29 2014, 20:09.

May 20 2014

start works on kinetic
f5c48f3f547f
·georget on May 20 2014, 15:58.
add example that computes supersaturation of C3S to obtain the kinetic rate…
83765d524169
·georget on May 20 2014, 15:47.
compute logIAP of a mineral - maybe to simplified
1592526f1247
·georget on May 20 2014, 15:41.

May 16 2014

start works on kinetic
5cfa0ee7755d
·georget on May 16 2014, 20:22.
improve robusteness with respect to change in the database
9969eeeae53a
·georget on May 16 2014, 20:08.
add Cl in database, correct logK for C3S C2S
1e8de8ef1a54
·georget on May 16 2014, 19:58.
also select the correct minerals governed by kinetics
e25bc4143ef5
·georget on May 16 2014, 19:57.

May 15 2014

add a simulation of alkali activated cement - just a POC for now
d687b3784285
·georget on May 15 2014, 20:43.
add sodium into database
7897b25a3aac
·georget on May 15 2014, 20:42.

May 3 2014

remove extended system and min function support in micpsolver
843229b1b8a7
·georget on May 3 2014, 22:34.
documentation
7faccfcacb59
·tag: 0.0.1
·georget on May 3 2014, 21:21.

May 1 2014

add test when reading database, check for consistency of charges
6e931682987f
·georget on May 1 2014, 00:19.

Apr 30 2014

improve cemdata database - add references
e54ec6d22bfb
·georget on Apr 30 2014, 23:55.
improve convergence ?
f55c50218084
·georget on Apr 30 2014, 20:07.
deactivate non-active test
27de60f482a7
·georget on Apr 30 2014, 20:05.
activate all species in cemdata database
9c9b751a6b4b
·georget on Apr 30 2014, 20:04.
use last development in databases modules
c0c6efecc588
·georget on Apr 30 2014, 20:00.
Add database module to keep only some minerals in equilibrium computation
68d4d285bf5e
·georget on Apr 30 2014, 19:59.
add base class for database modules
fe85b199d55b
·georget on Apr 30 2014, 17:44.
add minerals with kinetic flag
6e170dc80e1e
·georget on Apr 30 2014, 00:23.

Apr 29 2014

test last developments
cc6eba9f282d
·georget on Apr 29 2014, 22:08.
allow dissolution of minerals and aqueous species
07e0e8497a80
·georget on Apr 29 2014, 22:04.
add support for kinetically governed minerals
2c2e886f02ce
·georget on Apr 29 2014, 21:29.
add min-FB linesearch arlgorithm - does not work
98612e6c3e19
·georget on Apr 29 2014, 19:54.

Apr 25 2014

Prepare the new min micpsolver
9ae71fb529cc
·georget on Apr 25 2014, 18:44.

Apr 18 2014

correction of the databe, set some phase to be inactive (should be in the code)
0ce1acd6f2e1
·georget on Apr 18 2014, 23:26.
modify thermocarbo, add carboalu
371ef7b904c2
·georget on Apr 18 2014, 23:25.
modify the restarting strategy
c69b6bbe42b8
·georget on Apr 18 2014, 23:24.
correct computation of total aquoues concentration in the case where one…
96cb0e494d88
·georget on Apr 18 2014, 23:23.
use the max_factorization option in the no_Scaling solution
a5a27e272923
·georget on Apr 18 2014, 23:21.

Apr 15 2014

minor changes in thermocarbo
c1effab37d20
·georget on Apr 15 2014, 02:41.
reduce number of variables to the active set when the min function is used
3f9089b77fc2
·georget on Apr 15 2014, 02:40.
add an option to disallow automatic restart
c361bc90119b
·georget on Apr 15 2014, 02:38.

Apr 14 2014

start working on a global algorithm for reaction path modeling
e9fae70e5055
·georget on Apr 14 2014, 19:53.
more tests
f1691b964fa6
·georget on Apr 14 2014, 19:50.
initialisation
ce5e17f2cd94
·georget on Apr 14 2014, 19:48.
initialize variables
cfc0b7deec27
·georget on Apr 14 2014, 19:45.

Apr 12 2014

add 2 performance object together
89b65baa7e9a
·georget on Apr 12 2014, 17:55.

Apr 11 2014

thermocarbo : update to use new api, clean and all
201560830e3f
·georget on Apr 11 2014, 22:55.
easier way to change a basis
4c6dfeae96da
·georget on Apr 11 2014, 22:49.
add aluminum case
38ae5d08d8c3
·georget on Apr 11 2014, 22:01.
correct bug, enhance errors
3e40c915ae53
·georget on Apr 11 2014, 22:01.
correct bugs
be6d4801e493
·georget on Apr 11 2014, 22:01.
also select aqueous parameters
2ceac1e74674
·georget on Apr 11 2014, 22:01.
add aluminum and sulfate species
ce70030dc91e
·georget on Apr 11 2014, 22:01.
manage options a little better
7a6b209cf0ce
·georget on Apr 11 2014, 15:47.
add options to limit the number of factorization step
a14a8bf5ce2c
·georget on Apr 11 2014, 15:45.

Apr 10 2014

Choose the NCP-function to use
99cf67ee7b3c
·georget on Apr 10 2014, 21:06.

Historydev5ece8356c796c5ef9913c28…

Sep 9 2014

Sep 8 2014

Sep 7 2014

Sep 5 2014

Sep 1 2014

Aug 19 2014

Aug 18 2014

Jun 20 2014

Jun 19 2014

Jun 18 2014

Jun 17 2014

Jun 16 2014

Jun 5 2014

Jun 4 2014

Jun 3 2014

Jun 2 2014

May 29 2014

May 20 2014

May 16 2014

May 15 2014

May 3 2014

May 1 2014

Apr 30 2014

Apr 29 2014

Apr 25 2014

Apr 18 2014

Apr 15 2014

Apr 14 2014

Apr 12 2014

Apr 11 2014

Apr 10 2014

History
dev5ece8356c796c5ef9913c28…