Diffusion SpecMiCP / ReactMiCP (master) History

History
master20ed7ad3d2220860ee7088a…

Mar 18 2021

Fix compilation error, gcc 10
20ed7ad3d222
·branch: dev
·georget on Mar 18 2021, 19:52.

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.
minor: some licence date updates
1592b0829d3c
·georget on Feb 20 2019, 09:03.
specmicp:minor disable solid solution if not solid phases to solve
90ccaf2babd5
·georget on Feb 20 2019, 09:01.
specmicp:solver add automatic initialization from simplex solver
4a35a1990d56
·georget on Feb 20 2019, 09:00.
common:simplex improve degeneracy/cycling, to improve further
e9102bb3ab1c
·georget on Feb 20 2019, 08:56.
specmicp:solid solution add print/config for solid solutions
58ce56c41f2e
·georget on Feb 20 2019, 08:52.
database:add simple Gibbs energy of formation
216e8152182b
·georget on Feb 20 2019, 08:43.

Feb 4 2019

specmicp_common: add simplex solver
1c9a23f4c72c
·georget on Feb 4 2019, 08:41.

Jan 28 2019

database: add_molar_masses for elements
edc711bc7dfd
·georget on Jan 28 2019, 11:38.

Nov 29 2018

common:minor fixes in API
a1b713bd16b1
·georget on Nov 29 2018, 16:34.
chloride:minor small fixes
ba5fd2e04664
·georget on Nov 29 2018, 16:28.

Nov 9 2018

common:API:minor fix missing DLL_PUBLIC
db0824cddc44
·georget on Nov 9 2018, 17:23.
build:fix missing condition to disable LTO
21100f5d22cd
·georget on Nov 9 2018, 17:23.

Nov 7 2018

build: modernize cmake files
376ef9dbf3c0
·georget on Nov 7 2018, 09:13.
build:fix visibility flags for specmicp_common
8ba389c43e3c
·georget on Nov 7 2018, 08:54.

Nov 2 2018

system: only number equations when need to solve systems
856cb1763aad
·georget on Nov 2 2018, 17:01.
specmicp:system clean equation numbering
aec0204dafd0
·georget on Nov 2 2018, 14:59.
specmicp: first implementation of solid solutions
023c8e64faa4
·georget on Nov 2 2018, 14:59.
micpsolver:minor modifications in linesearch to get non-finite lambda
51054d8b7503
·georget on Nov 2 2018, 14:59.
micpsolver:fix minor typo in micpsolver
43ac06387e30
·georget on Nov 2 2018, 14:59.
data: Add Cemdata18 as a database
eda79fa00b9e
·georget on Nov 2 2018, 14:59.
database: add solid solutions in database
605d0d37b109
·georget on Nov 2 2018, 14:59.

Oct 19 2018

chlorides:example update example
0ae6488a886f
·branch: chloride
·georget on Oct 19 2018, 09:06.
specmicp:minor adds some asserts in AdimSolver
943fd2fe5ed6
·georget on Oct 19 2018, 09:04.
chloride:eqstagger turn off solver non ideality while perturbating solution
d7edfae72c6f
·georget on Oct 19 2018, 09:03.

Oct 5 2018

mesh: add custom nodes coordinates mesh (+conf)
3fb34b127383
·georget on Oct 5 2018, 18:04.

Sep 28 2018

reactmicp:chloride small improvements - running simmulation
4527ae1e21e8
·georget on Sep 28 2018, 12:14.
reactant_box: add access to surface model
fff28f19ecc4
·georget on Sep 28 2018, 12:12.

Sep 26 2018

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

Sep 23 2018

bugfix: pow10 was a glibc nonposix extension
2fd28b1ba0e4
·georget on Sep 23 2018, 21:09.
specmicp:extractor: add effective saturation index functions
8a188c3d283a
·georget on Sep 23 2018, 21:08.

Sep 13 2018

reactmicp: chloride Perturbation of adim solution only solves aqueous species
4b72db0089fc
·georget on Sep 13 2018, 18:44.
specmicp:solver add function to merge mobile and immobile solutions
dc37e8beeb9b
·georget on Sep 13 2018, 18:39.

Sep 12 2018

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

Sep 11 2018

minor:reactmicp:binaries update example input files
42eda1574b0b
·georget on Sep 11 2018, 13:31.
reactmicp:chloride improve ChlorideHDF5Reader
4ecda11ec9cb
·georget on Sep 11 2018, 13:30.
minor:common:config correct missing template for list_to_vector
e97e0bf083a1
·georget on Sep 11 2018, 13:28.

Sep 10 2018

reactmicp:binary add chloride binary (and an example)
214797a684c2
·georget on Sep 10 2018, 18:00.
reactmicp:chloride small fixes all around
7401b2cbe674
·georget on Sep 10 2018, 17:59.
fix:reactmicp initialize timers correctly
4f4f8a3c1bd2
·georget on Sep 10 2018, 17:53.
bin:reactmicp factorize some function in reactmicp app_core
3a40cecce487
·georget on Sep 10 2018, 17:50.
common:safe_config fix map iterator, to iterate over different types
3930bc94eb79
·georget on Sep 10 2018, 17:47.

Sep 2 2018

adim:tests correct jacobian test precision
e6f837d5a88a
·georget on Sep 2 2018, 19:27.
dfpm:test make sure last noe of axisymmetric mesh is at 0
d67c91abddd2
·georget on Sep 2 2018, 18:01.
test: bump catch2 to version 2.3.0
db9ec96e4200
·georget on Sep 2 2018, 17:41.

Aug 24 2018

reactmicp:chloride start working towards exec for chloride system
29ed1db4fb30
·georget on Aug 24 2018, 12:44.
reactmicp:runner move some function of SimulationInfo to cpp file
0b52e3b5e97f
·georget on Aug 24 2018, 12:17.
reactmicp:bin reorganize unsaturated binary to allow reuse for chloride binary
375cb4f0deed
·georget on Aug 24 2018, 12:14.
common:openmp improve eigen parallel support
df14d38fdd98
·georget on Aug 24 2018, 12:06.
database:print add member to print general info in conf log
e9b4e9a93f97
·georget on Aug 24 2018, 12:05.

Aug 15 2018

reactmicp:chloride improve boundary conditions and add configuration
12ee7fce271b
·georget on Aug 15 2018, 16:16.
reactmicp:systems move AdimConstraints into common
773188cd2fbe
·georget on Aug 15 2018, 16:16.
reactmicp:common move configuration for equilibriumOptionsVector to common
5051d957d18f
·georget on Aug 15 2018, 09:23.

Aug 14 2018

reactmicp:chloride add HDF5 reader/saver
68302da2615f
·georget on Aug 14 2018, 18:57.
reactmicp:chloride misc improvement
ccc131052ac4
·georget on Aug 14 2018, 18:57.
reactmicp:unsaturated update to new common reactmicp system
4a73e9b95387
·georget on Aug 14 2018, 18:57.
reactmicp:systems add common to gather boilerplates between systems
c56a7c260189
·georget on Aug 14 2018, 18:57.
hdf5:timesteps add member to retrieve timesteps as strings
c462fd6916c2
·georget on Aug 14 2018, 18:57.
common:hdf5 add partial read of datasets
4af1bea1b14d
·georget on Aug 14 2018, 18:57.

Aug 7 2018

reactmicp:chloride constraints is provided by BCs
0363df1a334f
·georget on Aug 7 2018, 14:29.
reactmicp:chloride add init_variables
44a3ef5ab597
·georget on Aug 7 2018, 14:25.
reactmicp:chloride transport stagger now use chem stagger
3e713c77b395
·georget on Aug 7 2018, 08:56.

Jul 3 2018

reactmicp:chloride use openmp in transport stagger
1acce8e96b7d
·georget on Jul 3 2018, 14:58.

Jun 29 2018

reactmicp:minor public classes in libraries
fc5f9eb0803a
·georget on Jun 29 2018, 14:20.

Jun 25 2018

Merge branch 'chloride' of bitbucket.org:specmicp/specmicp into chloride
38c6305ed272
·georget on Jun 25 2018, 18:18.
reactmicp:chloride bit of cleaning in transport program
cc0bc69f6348
·georget on Jun 25 2018, 18:11.
examples: update momas example to new sorption
ad3ed20db6c3
·georget on Jun 25 2018, 18:11.
major:specmicp add sorption EDL model
25b655cbf3cf
·georget on Jun 25 2018, 18:11.
major:database new sorbed species system
824b243e25d0
·georget on Jun 25 2018, 18:11.
minor: modify benchmarks to new benchmark version
143633e7a9ad
·georget on Jun 25 2018, 15:47.

Apr 10 2018

database:breaking refactor interface: only one surface site per sorbed species
a908a67d3e8c
·georget on Apr 10 2018, 09:23.

Apr 3 2018

specmicp: update specmicp system to new database format
1a9ce37fc033
·georget on Apr 3 2018, 13:12.
database:breaking Add multiple surface sites
d86d6fd4da06
·georget on Apr 3 2018, 13:04.

Mar 11 2018

example: update migration example
b565a6c9ae5e
·georget on Mar 11 2018, 16:24.

Mar 3 2018

build:minor add option to disable reactmicp system
39bff88c9e9a
·georget on Mar 3 2018, 10:37.

Mar 2 2018

minor:chloride make sure test run faster.
2ca26e872401
·georget on Mar 2 2018, 16:34.
common:fix density computation
349940604565
·georget on Mar 2 2018, 16:31.

Feb 21 2018

chloride: add examples
567a7dcef6d9
·georget on Feb 21 2018, 14:39.
specmicp: add charge balance computation in extractor
141c345d74de
·georget on Feb 21 2018, 14:37.
chloride: fixes for chemistry solver in transport program
1ca349fa1a0e
·georget on Feb 21 2018, 14:36.

Feb 14 2018

chloride: perturb adim, current and potential init
628531a71b14
·georget on Feb 14 2018, 12:00.

Feb 13 2018

chloride: good equilibrium obtained for Na/Cl system
03817253affd
·georget on Feb 13 2018, 13:15.
mesh:minor check input for range mesh
af1c6caafe71
·georget on Feb 13 2018, 13:04.
dfpm:minor style corrections
aee5da67f2eb
·georget on Feb 13 2018, 13:03.

Jan 29 2018

tmp: lot small changes for system transfer
35557e3cfb69
·georget on Jan 29 2018, 20:36.

Dec 22 2017

chloride: more work on the chloride system
848705901e68
·georget on Dec 22 2017, 16:56.
common:add helpers function for eigen
3df7e4247bb7
·georget on Dec 22 2017, 16:51.
fix:Smart solver now use units from reactant box
c06fce498b9a
·georget on Dec 22 2017, 16:49.

Dec 11 2017

chloride:fix with tests
c900f5ba2d13
·georget on Dec 11 2017, 11:54.
reactmicp:add helper function to transform dfpm return code
8a7c3529bcc0
·georget on Dec 11 2017, 11:52.

Dec 8 2017

continuing chloride system implementation
00f02a85ce08
·georget on Dec 8 2017, 17:24.

Nov 27 2017

reactmicp: add member to ChemistryStaggerBase
5d637ad6be6d
·georget on Nov 27 2017, 11:47.
common:add a generic return code for solver-agnostic algorithms
2e2b628aa887
·georget on Nov 27 2017, 11:47.

Nov 20 2017

chloride: first commit for new chloride system
3a45c7fe073a
·georget on Nov 20 2017, 13:14.

Nov 10 2017

test:fix remove bad dependancy in io_hdf5_meshes
3e3001b7784a
·branch: master
·georget on Nov 10 2017, 10:31.

Nov 8 2017

build:fix YAML imported target for cmake < 3.7.0
f915e6b208c1
·georget on Nov 8 2017, 10:54.

Nov 7 2017

docker: update docker files
5f551f547deb
·georget on Nov 7 2017, 17:25.
test:fix move to Catch2
d4fc19a685a4
·georget on Nov 7 2017, 16:02.
build:fix fix the fix for hdf5
ae89bd4c49f6
·georget on Nov 7 2017, 16:00.

Historymaster20ed7ad3d2220860ee7088a…

Mar 18 2021

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History
master20ed7ad3d2220860ee7088a…