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Diffusion SpecMiCP / ReactMiCP (kinetics) Graph

specmicp/src
kinetics

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CommitAuthorDetailsCommitted
49aeec52193cfabien
start working on BCs and ther applications 
Sep 28 2014
a68894083238fabien
update and coupling utils in SIASaturatedVariables 
Sep 28 2014
eebb86eba7d7fabien
add residuals and update norms in performance for parabolic solver 
Sep 26 2014
35e7d8aacfaefabien
add residual and update norm in performance for micpsolver 
Sep 26 2014
6110aa030886fabien
allow the non-conservation of water in reaction_path/reduce_system 
Sep 26 2014
8342bd67907cfabien
dfpmsolver, and saturated_diffusion program can be solved 
Sep 26 2014
b5fde6377526fabien
start working on SIA solver 
Sep 25 2014
f1c39bf54729fabien
reactive transport - fully implicit ... does not work 
Sep 25 2014
90597818e3bafabien
towards a correct code ? 
Sep 24 2014
68b7dab0dd3dfabien
it works \o/ 
Sep 21 2014
26456e9e2cd2fabien
add a few methods to EquilibriumState 
Sep 21 2014
8a4ab92c89b3fabien
Correct bug in ionic strength computation in Reducedsystem 
Sep 21 2014
8659642b7a98fabien
MiCPParabolicSolver runs, does not solve anything 
Sep 11 2014
141e6db490b4fabien
correction of bugs due to merging, also use new database range_* function in… 
Sep 10 2014
fe4a3c6ffe37fabien
Merge branch 'reactivetransport' 
Sep 10 2014
8d16e3a0c811fabien
remove thermodata.hpp, use DataContainer in reduced solver 
Sep 10 2014
d01a0c53637dfabien
add the main diffusion system 
Sep 10 2014
f1b23f04d9adfabien
introducing DiffusionSecondary for activity coefficient and concentration of… 
Sep 10 2014
e0f20360e06efabien
move and improve equation numbering for diffusion reactive transport system 
Sep 10 2014
43a8958938affabien
jacobian and residuals computation - not tested 
Sep 10 2014
4873112352b5fabien
add range support in database::DataContainer 
Sep 10 2014
54f4e1c465c9fabien
bug correction for diffusion system 
Sep 10 2014
b1dec92efd3efabien
first commit on branch reactivetransport 
Sep 10 2014
f89b95873e65fabien
The python interface is able to solve the first step of thermocarbo 
Sep 9 2014
5d71ccc1da23fabien
Starting the work on the reaction path solver 
Sep 8 2014
54f50e62ff4bfabien
reintroduce the old solver, for a ~working min solver 
Sep 5 2014
b9fd53649f8ffabien
check if mineral species contribute to total concentration 
Sep 5 2014
bcbf5078d653fabien
try helping convergence of min-FB linesearch algorithm - does not work 
Sep 5 2014
07a62349e37efabien
use the activity for the pH, not the molality 
Sep 1 2014
d08941d1b3b4fabien
comment and docs for database modules 
Aug 19 2014
cdf13a8c9cfffabien
comments and doc, correctition of bug in micpsolver no_scaling 
Aug 19 2014
879414fa334ffabien
comments and doc for reduced system solver 
Aug 19 2014
510760a8471ffabien
correct and add comments EquilibriumState 
Aug 19 2014
a583a91abe36fabien
comment and small refactoring for ReactionPathDriver 
Aug 19 2014
e9f68b0250c3fabien
simplify initialisation of reaction path driver 
Aug 18 2014
be84b355a07dfabien
change copyright 
Aug 18 2014
2555d4790cc7fabien
cleaning not working gasphase in reduce_system 
Aug 18 2014
768489c0ad3efabien
after a long absence, start cleaning 
Aug 18 2014
fbc3b1f9f7c0georget
more small corrections and preparations for the gas phase 
Jun 20 2014
881a9cd5b582georget
correct wrong activity coefficients in solution when ther is inactive components 
Jun 19 2014
e4061f7461edgeorget
Use 'full' warmstart to improve computation 
Jun 18 2014
54afcac13afcgeorget
Make sure that the activity coefficients are computed correctly - They are not ! 
Jun 18 2014
9320d65b0bd7georget
start implementing the fixed volume problem 
Jun 17 2014
191e81a7b47ageorget
separate common laws, constant and unit conversion in their own files 
Jun 17 2014
4d7d50dc1a4fgeorget
add some constants and trivial laws 
Jun 17 2014
392b50f45f16georget
start support of gas phase in database 
Jun 16 2014
2fba35c488d9georget
correct initialization of eigen solver - valgrind output is now ok 
Jun 16 2014
f5ff5181ce69georget
add source file for data_container... 
Jun 5 2014
b53f240bd6a4georget
everything compiles and run 
Jun 5 2014
9bb9fb95bbcfgeorget
add support for molar volume of minerals 
Jun 5 2014
bfff495f16bdgeorget
add support for molar mass 
Jun 5 2014
583c1a0f5574georget
clean directory before merging branch 
Jun 4 2014
35b1899b35bageorget
Improve EquilibriumState, use it in examples 
Jun 4 2014
36b376748b48georget
add EquilibriumState to store and manage solution of equilibrium computation 
Jun 4 2014
063a9f5832a7georget
correct bug in database - allow selection of components 
Jun 3 2014
f41982d51b13georget
adaptative step for embedded runge kutta 
Jun 2 2014
0c026352549ageorget
change template parameter - less confusing 
May 29 2014
563cc0253cc5georget
add support for DormandPrince method 
May 29 2014
f71ccdc1dc33georget
start inplementing ode integrator 
May 29 2014
f5c48f3f547fgeorget
start works on kinetic 
May 20 2014
1592526f1247georget
compute logIAP of a mineral - maybe to simplified 
May 20 2014
e25bc4143ef5georget
also select the correct minerals governed by kinetics 
May 16 2014
843229b1b8a7georget
remove extended system and min function support in micpsolver 
May 3 2014
7faccfcacb59georget
documentation 
May 3 2014
6e931682987fgeorget
add test when reading database, check for consistency of charges 
May 1 2014
f55c50218084georget
improve convergence ? 
Apr 30 2014
c0c6efecc588georget
use last development in databases modules 
Apr 30 2014
68d4d285bf5egeorget
Add database module to keep only some minerals in equilibrium computation 
Apr 30 2014
fe85b199d55bgeorget
add base class for database modules 
Apr 30 2014
07e0e8497a80georget
allow dissolution of minerals and aqueous species 
Apr 29 2014
2c2e886f02cegeorget
add support for kinetically governed minerals 
Apr 29 2014
98612e6c3e19georget
add min-FB linesearch arlgorithm - does not work 
Apr 29 2014
9ae71fb529ccgeorget
Prepare the new min micpsolver 
Apr 25 2014
c69b6bbe42b8georget
modify the restarting strategy 
Apr 18 2014
96cb0e494d88georget
correct computation of total aquoues concentration in the case where one… 
Apr 18 2014
a5a27e272923georget
use the max_factorization option in the no_Scaling solution 
Apr 18 2014
3f9089b77fc2georget
reduce number of variables to the active set when the min function is used 
Apr 15 2014
c361bc90119bgeorget
add an option to disallow automatic restart 
Apr 15 2014
e9fae70e5055georget
start working on a global algorithm for reaction path modeling 
Apr 14 2014
ce5e17f2cd94georget
initialisation 
Apr 14 2014
cfc0b7deec27georget
initialize variables 
Apr 14 2014
89b65baa7e9ageorget
add 2 performance object together 
Apr 12 2014
4c6dfeae96dageorget
easier way to change a basis 
Apr 11 2014
3e40c915ae53georget
correct bug, enhance errors 
Apr 11 2014
be6d4801e493georget
correct bugs 
Apr 11 2014
2ceac1e74674georget
also select aqueous parameters 
Apr 11 2014
7a6b209cf0cegeorget
manage options a little better 
Apr 11 2014
a14a8bf5ce2cgeorget
add options to limit the number of factorization step 
Apr 11 2014
99cf67ee7b3cgeorget
Choose the NCP-function to use 
Apr 10 2014
a8ca288cc7f5georget
add support for using min as a NCP-function 
Apr 10 2014
16a46eb4411fgeorget
works but slow 
Apr 10 2014
bebc0a28d0dfgeorget
better handling of non existing component 
Apr 10 2014
b75af9fe6fdcgeorget
correction of perturbation and detection of stationary point (issue #3) 
Apr 10 2014
2a2c40048ceegeorget
move canonicalization and basis_switching to their own class, Database call… 
Apr 10 2014
5d310946ccfegeorget
database : add invalid_database exception, move definition of exceptions in… 
Apr 10 2014
98ef97febe79georget
add ReactionPathDriver - able to run 
Apr 9 2014
d38dc8a3264egeorget
add a defautl constructor 
Apr 9 2014
9e86c2755aa3georget
change default value, best for our problems 
Apr 9 2014
bf4aba0306f5georget
different way to initialize a database 
Apr 9 2014
26d44083fef7georget
Add the class ReducedSystemSolver, interface to solve a ReducedSystem 
Apr 9 2014
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