Diffusion SpecMiCP / ReactMiCP (kinetics) History

History
kinetics191d56f41074d3777b0e095…

Oct 3 2014

add cmakefile in directory test
191d56f41074
·fabien on Oct 3 2014, 16:28.
remove unecessary files
e5484eae1665
·fabien on Oct 3 2014, 00:36.
improve fixed-point iteration solver
1461da1319e9
·fabien on Oct 3 2014, 00:30.

Oct 1 2014

SIA reactive transport start to work
83e1af765087
·fabien on Oct 1 2014, 19:37.
add scaling method in EquilibriumState
f0bae6f199e0
·fabien on Oct 1 2014, 19:34.
add method to compute residuals from outside, and adjust logging message
48743d675901
·fabien on Oct 1 2014, 19:33.

Sep 28 2014

start working on BCs and ther applications
49aeec52193c
·fabien on Sep 28 2014, 23:38.
update and coupling utils in SIASaturatedVariables
a68894083238
·fabien on Sep 28 2014, 20:16.

Sep 26 2014

add residuals and update norms in performance for parabolic solver
eebb86eba7d7
·fabien on Sep 26 2014, 19:40.
add residual and update norm in performance for micpsolver
35e7d8aacfae
·fabien on Sep 26 2014, 19:39.
allow the non-conservation of water in reaction_path/reduce_system
6110aa030886
·fabien on Sep 26 2014, 16:44.
dfpmsolver, and saturated_diffusion program can be solved
8342bd67907c
·fabien on Sep 26 2014, 02:27.

Sep 25 2014

start working on SIA solver
b5fde6377526
·fabien on Sep 25 2014, 05:00.
reactive transport - fully implicit ... does not work
f1c39bf54729
·fabien on Sep 25 2014, 01:31.

Sep 24 2014

towards a correct code ?
90597818e3ba
·fabien on Sep 24 2014, 15:23.

Sep 21 2014

it works \o/
68b7dab0dd3d
·fabien on Sep 21 2014, 21:01.
add a few methods to EquilibriumState
26456e9e2cd2
·fabien on Sep 21 2014, 21:00.
Correct bug in ionic strength computation in Reducedsystem
8a4ab92c89b3
·fabien on Sep 21 2014, 20:54.

Sep 11 2014

MiCPParabolicSolver runs, does not solve anything
8659642b7a98
·fabien on Sep 11 2014, 22:49.

Sep 10 2014

correction of bugs due to merging, also use new database range_* function in…
141e6db490b4
·fabien on Sep 10 2014, 03:54.
Merge branch 'reactivetransport'
fe4a3c6ffe37
·fabien on Sep 10 2014, 03:39.
remove thermodata.hpp, use DataContainer in reduced solver
8d16e3a0c811
·fabien on Sep 10 2014, 03:35.
add the main diffusion system
d01a0c53637d
·fabien on Sep 10 2014, 02:12.
introducing DiffusionSecondary for activity coefficient and concentration of…
f1b23f04d9ad
·fabien on Sep 10 2014, 02:12.
move and improve equation numbering for diffusion reactive transport system
e0f20360e06e
·fabien on Sep 10 2014, 02:12.
jacobian and residuals computation - not tested
43a8958938af
·fabien on Sep 10 2014, 02:12.
add range support in database::DataContainer
4873112352b5
·fabien on Sep 10 2014, 02:12.
bug correction for diffusion system
54f4e1c465c9
·fabien on Sep 10 2014, 02:12.
first commit on branch reactivetransport
b1dec92efd3e
·fabien on Sep 10 2014, 02:12.

Sep 9 2014

improving the CMake file to compile the python interface
f19180e3b265
·fabien on Sep 9 2014, 21:26.
thermocarbo.py is running ok
f401e32a96d2
·fabien on Sep 9 2014, 20:54.
The python interface is able to solve the first step of thermocarbo
f89b95873e65
·fabien on Sep 9 2014, 17:25.
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.

Historykinetics191d56f41074d3777b0e095…

Oct 3 2014

Oct 1 2014

Sep 28 2014

Sep 26 2014

Sep 25 2014

Sep 24 2014

Sep 21 2014

Sep 11 2014

Sep 10 2014

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

History
kinetics191d56f41074d3777b0e095…