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Diffusion SpecMiCP / ReactMiCP (gasphase) Graph

specmicp/src
gasphase

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CommitAuthorDetailsCommitted
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
b2b3619c1e93georget
Add a method to return the list of non active components 
Apr 9 2014
cc06c8c7b905georget
Database can now remove some components (and the corresponding species) from… 
Apr 9 2014
a17e5379d078georget
Thermodata may need to return the raw database 
Apr 9 2014
fac9d726710fgeorget
Set options in bulk 
Apr 9 2014
3001d89b9660georget
optimize reformulation of jacobian 
Apr 9 2014
50a966577063georget
separate struct and enum used by MiCPSolver in a different header 
Apr 9 2014
a293c41b2539georget
database selector - remove components from the basis 
Apr 9 2014
0e5c208d1044georget
allow the desactivation of a component 
Apr 8 2014
e4df9145f105georget
add access to labels for debug 
Apr 8 2014
a19cea4818a7georget
a new reduced system, don't solve explicitely for secodnary aqueous… 
Apr 8 2014
918d946487c3georget
adapt extended system to new hook_start_iteration method 
Apr 8 2014
c344ec429965georget
improve convergence, tune linesearch to accept a max lambda 
Apr 8 2014
a29e40517129georget
move specmicp to extended_system 
Apr 7 2014
c3557baf079ageorget
be careful of numerical issue when computing loggamma 
Apr 7 2014
fb498d62c46cgeorget
correct initialization of param_aq 
Apr 7 2014
c551311e303egeorget
Documentations : citations and update 
Apr 7 2014
5c657c42f5adgeorget
adapt thermodata interface to use database::DataContainer 
Apr 6 2014
4d14a2cc5b7egeorget
add database management - reducing to canonical form and swap basis 
Apr 6 2014
d1005cb9e234georget
change name reader; allow non canonical form in database 
Apr 6 2014
0ee505a85b4cgeorget
add database 
Apr 5 2014
89f89d5696f6georget
Documentation 
Apr 5 2014
ea53ab775553georget
performance checker 
Apr 5 2014
f62817d016a8georget
add logging in micpsolver 
Apr 5 2014
dcc601639650georget
logger 
Apr 4 2014
97461d14639cgeorget
ionic strength correction 
Apr 4 2014
337c8aa07602georget
add several options 
Apr 3 2014
64da59a43e81georget
compute total aqueous concentration 
Apr 3 2014
9de60e139addgeorget
improve searchdirection computation 
Apr 3 2014
d4fa9f6e9745georget
add a few options 
Apr 3 2014
ce819d971fafgeorget
remove one unnecessary call 
Apr 3 2014
1c6661f02cc4georget
add non ideality 
Apr 2 2014
36570a50607bgeorget
improve convergence, correct bug in derivative of FB function 
Apr 2 2014
a0e44f90cac4georget
update jacobian to use ideq 
Apr 1 2014
95e61d98ac11georget
specmicp is working 
Mar 31 2014
761f64c2833ageorget
correct initialization error in unit vector, add kojima test 
Mar 31 2014
8485d7b99b9egeorget
debuuuuuuuuuuuuuuuuuuuug 
Mar 31 2014
76b655f10c49georget
start work on specmicp 
Mar 26 2014
f8856335eb20georget
improve convergence 
Mar 26 2014
ad78c000464bgeorget
grad_phi is jacaob^T*phi 
Mar 26 2014
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