Diffusion SpecMiCP / ReactMiCP (single) History

specmicp/tests/specmicp
single

Feb 20 2019

WARNING !!! change test so that it passes, must check gibbs energy meaning in db
8b102abefb55
·georget on Feb 20 2019, 10:15.
specmicp:solver add automatic initialization from simplex solver
4a35a1990d56
·georget on Feb 20 2019, 09:00.

Nov 2 2018

system: only number equations when need to solve systems
856cb1763aad
·georget on Nov 2 2018, 17:01.
specmicp: first implementation of solid solutions
023c8e64faa4
·georget on Nov 2 2018, 14:59.

Sep 26 2018

specmicp: add fixed saturation constraints
fd6b77ea4c99
·georget on Sep 26 2018, 10:50.

Sep 12 2018

specmicp: add option to disable immobile species in solver
db939b5e3fbf
·georget on Sep 12 2018, 17:16.

Sep 2 2018

adim:tests correct jacobian test precision
e6f837d5a88a
·georget on Sep 2 2018, 19:27.

Jun 25 2018

major:specmicp add sorption EDL model
25b655cbf3cf
·georget on Jun 25 2018, 18:11.

Apr 3 2018

specmicp: update specmicp system to new database format
1a9ce37fc033
·georget on Apr 3 2018, 13:12.

Nov 7 2017

test:fix move to Catch2
d4fc19a685a4
·georget on Nov 7 2017, 16:02.

Apr 28 2017

fix:test correct specmicp_bin arguments
c0c0ab67b44e
·georget on Apr 28 2017, 20:18.

Feb 14 2017

test:fix test due to removal of adim/adim_saver
3392140f93e9
·georget on Feb 14 2017, 15:18.

Feb 13 2017

specmicp: fix parsing database
994e96f2d151
·georget on Feb 13 2017, 23:57.
specmicp:io fix read/save solution to yaml file
60df8d7802f5
·georget on Feb 13 2017, 20:49.

Sep 19 2016

specmicp: add mineral upper bound in ReactantBox
166fda7bb141
·georget on Sep 19 2016, 03:39.

Sep 18 2016

specmicp solver : add upper bound on minerals
4837d2ea3d06
·georget on Sep 18 2016, 04:18.

Aug 30 2016

specmicp: add configuration for fixed saturation equation
97deef116070
·georget on Aug 30 2016, 19:34.
specmicp: Add a fixed saturation equation
5821dfca248c
·georget on Aug 30 2016, 17:05.

Jun 29 2016

add:specmicp functor to set update in StepProblem
2c714e5b1af0
·georget on Jun 29 2016, 17:12.
add:specmicp StepSolver
1933e8b52009
·georget on Jun 29 2016, 15:28.

Jun 24 2016

specmip initialization of smart solver in conf
ae4f87a36ca0
·georget on Jun 24 2016, 20:50.

Jun 3 2016

fix:test:specmicp ReactantBox
b563af806994
·georget on Jun 3 2016, 19:26.

May 22 2016

specmicp binary use new YAML interface
b1aa7b422b2b
·georget on May 22 2016, 17:57.

May 6 2016

fix:solver fix commit 46ff29c and tests
73b62312473f
·georget on May 6 2016, 21:40.

May 5 2016

reactant_box: add volume fraction parsing
e9ed76a21257
·georget on May 5 2016, 16:47.

May 4 2016

minor:test remove one use of depecrated function
dc2143f019c5
·georget on May 4 2016, 14:50.

May 3 2016

impr:specmicp allow retrieving solution in unsafe mode
f96bf7686096
·georget on May 3 2016, 22:25.
feat:specmicp:configuration add ReactBox configuration
a49b2019a703
·georget on May 3 2016, 22:24.

May 2 2016

impr:specmicp enable user initialisation of SmartSolver
c953abeef04a
·georget on May 2 2016, 21:35.
grammar:specmicp Rename initialise_ to initialize_
8a7b57ade258
·georget on May 2 2016, 21:27.

Mar 25 2016

upd:specmicp:hdf5 save adim solution using new hdf5 wrapper
37417552df4c
·georget on Mar 25 2016, 18:59.

Mar 18 2016

feat:specmicp Reactant box can now return a set of constraints
d94792a4f65f
·georget on Mar 18 2016, 22:42.

Mar 16 2016

test:specmicp:problem solver add tests for non SI units
5a2fb3e52f6c
·georget on Mar 16 2016, 15:28.

Mar 14 2016

fix:specmicp:probelm_solver units, units, units
8097bf3fab7d
·georget on Mar 14 2016, 15:17.

Mar 13 2016

feat:specmicp ReactantBox : initial formulation with units
9149aa40938d
·georget on Mar 13 2016, 21:44.

Mar 11 2016

upd:specmicp adim system used new moles unit
1ecc67c5bb68
·georget on Mar 11 2016, 00:50.

Feb 7 2016

impr:organization make specmicp use new orga of specmicp_{common,database}
98cba15aaf10
·georget on Feb 7 2016, 17:08.

Jan 19 2016

HDF5:specmicp read Adim solution from HDF5 file
b73cd1c1272b
·fabien on Jan 19 2016, 22:46.

Nov 26 2015

fix: specmicp binary test, fix database apth in input file
f4feb3f1a396
·fabien on Nov 26 2015, 19:36.

Nov 15 2015

feat: save adimensional system solution in hdf5
28a4bc161e9f
·fabien on Nov 15 2015, 21:43.

Oct 5 2015

fix: fix debye-huckel law and tests
284828328b97
·fabien on Oct 5 2015, 04:36.

Sep 29 2015

refactor: separe residual water in 2 functions
8eea5f44bc3c
·fabien on Sep 29 2015, 18:08.
feature: add water pressure model in specmicp
4bb92b2d2b3f
·fabien on Sep 29 2015, 16:16.

Sep 14 2015

test: add test for specmicp library
0d462a7bb38b
·fabien on Sep 14 2015, 15:32.
test: move cmake rules for specmicp test
386114bd5e55
·fabien on Sep 14 2015, 15:13.

Jul 13 2015

fix: modificator.set_minerals_kinetic
cee2d2898673
·fabien on Jul 13 2015, 20:56.

Jun 25 2015

Update test input file of specmicp
866f117c00f6
·fabien on Jun 25 2015, 19:24.

Jun 22 2015

update tests
7719728b0c10
·fabien on Jun 22 2015, 21:06.

Jun 9 2015

Move AdimensionalSystemSolverSaver to YAML formatting
f28c1c458a8b
·fabien on Jun 9 2015, 05:53.

Jun 8 2015

Update exemples and test to the databases
eb284a0c4989
·fabien on Jun 8 2015, 19:47.

Jun 5 2015

Add more constraints configuration
e809292d7440
·branch: configuration
·fabien on Jun 5 2015, 16:47.
Start implementing constraints configuration in SpecMiCP
88a299bc1607
·fabien on Jun 5 2015, 04:15.
Add Configuration for formulation
7178ca623984
·fabien on Jun 5 2015, 03:38.

Jun 2 2015

Modify molar_mass_<species> in DataContainer
7d1722d5bb0f
·fabien on Jun 2 2015, 16:30.

May 13 2015

Lots of minor fixes
b37bc6fcac85
·fabien on May 13 2015, 15:42.

May 1 2015

Add a serializer for AdimensionalSystemSolution
583eb2cd10a4
·fabien on May 1 2015, 00:09.

Apr 30 2015

Add a fixed molality constraints in AdimensionalSystem
eee5a564c204
·fabien on Apr 30 2015, 00:29.

Apr 23 2015

Minor fixes in test_specmicp_adim
b3bb8393f99b
·fabien on Apr 23 2015, 05:36.

Apr 12 2015

Improve consistency of function naming
d4be19a55956
·fabien on Apr 12 2015, 22:40.

Apr 1 2015

Add test for the oxydoreduction
988370a609fc
·fabien on Apr 1 2015, 23:07.

Mar 27 2015

fixes commit 0174eeb
665b1c9415f6
·fabien on Mar 27 2015, 16:10.

Mar 25 2015

Update the specmicp tests
cbf1fa082c49
·fabien on Mar 25 2015, 14:50.

Mar 24 2015

Remove test for ReducedSystem
0a851fd28c2c
·fabien on Mar 24 2015, 18:59.

Mar 13 2015

update specmicp AdimensionalSystem tests
bf325999f473
·fabien on Mar 13 2015, 02:37.

Feb 25 2015

Correct the AdimensionalSystem jacobian, fixes issue #29
0b1682bb59f9
·fabien on Feb 25 2015, 23:46.

Feb 23 2015

correct tests for AdimensionalSystem &co, add test for the PCFM method
aa478c67960b
·fabien on Feb 23 2015, 04:21.

Feb 13 2015

Update test and examples of AdimensionalSystem to agree with commit 987ce30
60c8038a6ab2
·fabien on Feb 13 2015, 16:20.

Feb 11 2015

add some simple tests for AdimKinetics, will add more in the future
9a4089e18a62
·branch: kinetics
·fabien on Feb 11 2015, 15:01.
reduce maximum step lenght in adim tests/to match others, remove a cycling…
f683d9d25c24
·fabien on Feb 11 2015, 14:39.

Feb 3 2015

add scaling for the AdimensionalSystem, fixes issue #23
86c34c364f68
·fabien on Feb 3 2015, 17:39.

Jan 19 2015

issue #8, all tests compiles
a4ba90c69915
·fabien on Jan 19 2015, 17:22.

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.

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

add explicit charge conservation in ReducedSystem
bbb049d91863
·fabien on Oct 26 2014, 19:16.

Oct 21 2014

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

Sep 26 2014

allow the non-conservation of water in reaction_path/reduce_system
6110aa030886
·fabien on Sep 26 2014, 16:44.

Sep 10 2014

remove thermodata.hpp, use DataContainer in reduced solver
8d16e3a0c811
·fabien on Sep 10 2014, 03:35.

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.