Diffusion SpecMiCP / ReactMiCP (kinetics) History

specmicp/tests
kinetics3c484d96fa9b2dad86bca78…

Jan 10 2015

improve reactive transport solver
17ac62383dd7
·fabien on Jan 10 2015, 02:29.

Jan 9 2015

add tests for the new flexible reactive transport solver, proof of concept
092c377c7c2a
·fabien on Jan 9 2015, 22:06.

Dec 19 2014

update test to agree with commit 030defd, rename BC to constraints in…
7dcd83852458
·fabien on Dec 19 2014, 20:06.

Dec 16 2014

update adimensional test
9a702fba7e44
·fabien on Dec 16 2014, 15:16.

Dec 15 2014

add test for a saturated system
e9c71b96d952
·fabien on Dec 15 2014, 18:02.

Dec 5 2014

update AdimensionalSystem tests
4baa74b5ad51
·fabien on Dec 5 2014, 22:19.

Dec 3 2014

add tests to test fixed activity/fugacity in AdimensionalSystem
50ed2ee880c0
·fabien on Dec 3 2014, 20:34.
update tests/adim to handle new BC
8524c7fb6b09
·fabien on Dec 3 2014, 17:00.

Dec 2 2014

update tests to use the new Adimensional system options
1978388f2d69
·fabien on Dec 2 2014, 19:47.

Nov 22 2014

small corrections in specmicp ReducedSystem and associate
3a8861713bdf
·fabien on Nov 22 2014, 19:25.

Nov 21 2014

add more tests for adimensional system
522419257276
·fabien on Nov 21 2014, 16:49.
remove jsoncpp from the library we link too, it is already included
87334ca27afe
·fabien on Nov 21 2014, 16:43.

Nov 20 2014

add solver for Adimensional system and Dissolver, to set up problem
d1998e3678d3
·fabien on Nov 20 2014, 02:41.

Nov 19 2014

rename adim into adimensional system
e2078e2d32ae
·fabien on Nov 19 2014, 16:42.
add support for units in adimensional system
99eb486901e6
·fabien on Nov 19 2014, 16:21.

Nov 18 2014

implementation of adimensional system and test
477470dc6bc8
·fabien on Nov 18 2014, 23:54.

Nov 7 2014

add kinetic solver - to be improved
bc9b1984b554
·fabien on Nov 7 2014, 19:07.

Oct 28 2014

clean ode integrator
250e37bca411
·fabien on Oct 28 2014, 15:28.

Oct 26 2014

update cython interface to use the licit charge conservation equation
0b9e18fb7d56
·fabien on Oct 26 2014, 19:45.
add explicit charge conservation in ReducedSystem
bbb049d91863
·fabien on Oct 26 2014, 19:16.

Oct 25 2014

add reactive transport neutrality solver, and update transport program and the…
6d08d8744732
·fabien on Oct 25 2014, 22:31.

Oct 22 2014

update program, coupler tests and examples to use new features of dfpm solver
6c35d421db39
·fabien on Oct 22 2014, 17:41.

Oct 21 2014

lots of small corrections
7009d71a1296
·fabien on Oct 21 2014, 21:38.

Oct 20 2014

add electroneutrality transport program
ab2944bc8002
·fabien on Oct 20 2014, 23:03.

Oct 15 2014

start work on a the transport oslver with neutrality
e882181496b7
·fabien on Oct 15 2014, 23:16.

Oct 10 2014

add support for not dissolving/not precipitating minerals in database
4607780abc35
·fabien on Oct 10 2014, 19:51.

Oct 8 2014

correct name of reactmicp test folder to tests/reactmicp
afebadac83de
·fabien on Oct 8 2014, 20:21.
add axissymmetric mesh 1d, one file per mesh, add reactmicp/mesh.hpp
a3fe40ba7210
·fabien on Oct 8 2014, 20:19.
Prepare mesh module for asymmetric mesh
a82ae4d34189
·fabien on Oct 8 2014, 16:57.

Oct 6 2014

modify reactmicp and dfpmsolver to use common.hpp
c46a22fd727b
·fabien on Oct 6 2014, 19:19.
add common.hpp, modify database module to use it
eb7779e20fdf
·fabien on Oct 6 2014, 15:30.

Oct 3 2014

add cmakefile in directory test
191d56f41074
·fabien on Oct 3 2014, 16:28.
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.

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

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.

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.

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.

Sep 8 2014

create module specmicp and add unit tests
41ba8a2a83cb
·fabien on Sep 8 2014, 21:05.

Sep 5 2014

improve thermocarbo and carboalu test
02c100013be0
·fabien on Sep 5 2014, 19:26.

Aug 18 2014

simplify initialisation of reaction path driver
e9f68b0250c3
·fabien on Aug 18 2014, 19:35.
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 18 2014

Use 'full' warmstart to improve computation
e4061f7461ed
·georget on Jun 18 2014, 23:04.

Jun 5 2014

everything compiles and run
b53f240bd6a4
·georget on Jun 5 2014, 20:15.
add support for molar mass
bfff495f16bd
·georget on Jun 5 2014, 05:15.

Jun 4 2014

Improve EquilibriumState, use it in examples
35b1899b35ba
·georget on Jun 4 2014, 23:46.
add test to develop kinetics
7534f1230322
·georget on Jun 4 2014, 15:11.

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.
start inplementing ode integrator
f71ccdc1dc33
·georget on May 29 2014, 20:09.

May 20 2014

add example that computes supersaturation of C3S to obtain the kinetic rate…
83765d524169
·georget on May 20 2014, 15:47.

May 16 2014

improve robusteness with respect to change in the database
9969eeeae53a
·georget on May 16 2014, 20:08.

May 15 2014

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

May 3 2014

remove extended system and min function support in micpsolver
843229b1b8a7
·georget on May 3 2014, 22:34.

Apr 30 2014

deactivate non-active test
27de60f482a7
·georget on Apr 30 2014, 20:05.
use last development in databases modules
c0c6efecc588
·georget on Apr 30 2014, 20:00.

Apr 29 2014

test last developments
cc6eba9f282d
·georget on Apr 29 2014, 22:08.

Apr 18 2014

modify thermocarbo, add carboalu
371ef7b904c2
·georget on Apr 18 2014, 23:25.

Apr 15 2014

minor changes in thermocarbo
c1effab37d20
·georget on Apr 15 2014, 02:41.

Apr 14 2014

more tests
f1691b964fa6
·georget on Apr 14 2014, 19:50.

Apr 11 2014

thermocarbo : update to use new api, clean and all
201560830e3f
·georget on Apr 11 2014, 22:55.
add aluminum case
38ae5d08d8c3
·georget on Apr 11 2014, 22:01.

Apr 10 2014

Choose the NCP-function to use
99cf67ee7b3c
·georget on Apr 10 2014, 21:06.
add test_kojima_min
aeac1a8c76e8
·georget on Apr 10 2014, 20:55.

Apr 9 2014

use the reaction path driver
2f0c6c03062a
·branch: reaction_path
·georget on Apr 9 2014, 23:12.
Thermocarbo : use the ReduccedSystemSolver
2bbd6b3a50f5
·georget on Apr 9 2014, 21:22.
database selector - remove components from the basis
a293c41b2539
·georget on Apr 9 2014, 16:55.

Apr 8 2014

take advantage of the desactivation of component to model the complete path…
7d4080d66303
·georget on Apr 8 2014, 23:56.
use new reduced system
132d6485ecf3
·georget on Apr 8 2014, 21:16.

Apr 7 2014

move specmicp to extended_system
a29e40517129
·georget on Apr 7 2014, 19:47.

Apr 6 2014

use cemdata database to perform the computation
255520184d81
·georget on Apr 6 2014, 20:55.
change name reader; allow non canonical form in database
d1005cb9e234
·georget on Apr 6 2014, 20:55.

Apr 5 2014

add database
0ee505a85b4c
·georget on Apr 5 2014, 20:54.
Documentation
89f89d5696f6
·georget on Apr 5 2014, 18:21.
use MiCPperformance to output return code and nb iterations
c6e81fb01c18
·georget on Apr 5 2014, 02:46.
thermocarbo: use new options; logging; and change data
1156811fe485
·georget on Apr 5 2014, 00:28.

Apr 3 2014

change initial guess
7098e82a7536
·georget on Apr 3 2014, 20:14.
reaction path model for thermodynamic carbonation model
8f8f3a6d7631
·georget on Apr 3 2014, 15:54.

Apr 2 2014

add non ideality
1c6661f02cc4
·georget on Apr 2 2014, 16:35.
improve convergence, correct bug in derivative of FB function
36570a50607b
·georget on Apr 2 2014, 16:33.

Mar 31 2014

specmicp is working
95e61d98ac11
·georget on Mar 31 2014, 23:53.
correct initialization error in unit vector, add kojima test
761f64c2833a
·georget on Mar 31 2014, 23:51.
debuuuuuuuuuuuuuuuuuuuug
8485d7b99b9e
·georget on Mar 31 2014, 19:09.