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24 Commits

Author SHA1 Message Date
David Parkhurst
86a55b5b5d Tony's changes from 20180305 2018-03-07 17:08:33 -07:00
David L Parkhurst
d5e7aa0ab3 Tony's changes. 
Call calc_delta_v always.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10930 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-09 19:59:35 +00:00
David L Parkhurst
174c739d26 Updated concrete source from concrete_parallel source (not using parallel). 
Now going to run test cases on Linux.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10719 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 18:12:15 +00:00
David L Parkhurst
37b8b3f49e Have surface species data saved in the charge class. 
Now need to expose it with PhreeqcRM

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9896 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-25 22:44:39 +00:00
David L Parkhurst
9d4bb2e173 PHREEQC should now have no USE_MPI 
Also no MERGE_FILES in PHREEQC

Not sure about deallocates in worker_closef

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7045 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-10-29 23:16:27 +00:00
David L Parkhurst
d4721e493e Wrote rebalance_load for MPI_Bcast 
However, now need 4 configurations for IPhreeqc Debug/Release USE_MPI.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7036 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-10-26 00:39:14 +00:00
David L Parkhurst
b0b007ca92 const static vopts 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-07-17 17:12:50 +00:00
David L Parkhurst
3d2e4ae4be Removed Phreeqc_class.h. 
Replaced all PHREEQC_PTR, P_INSTANCE, p_instance1.

Now uses Phreeqc * phreeqc_ptr for Phreeqc cookies.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6509 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-04-19 18:35:14 +00:00
David L Parkhurst
91f650a5e9 Merged ErrorHandling 6119-6268 changes. 
All reactant structs have been removed.
Tony's pressure uses mu in pressure term of log_k.
Test cases run, discriminant check at 1e-8.

Still want to optimize out some k_temp calls and checks for same T, P, mu.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-03-06 23:42:49 +00:00
David L Parkhurst
7683982877 changed all double to LDBLE 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-11 21:13:51 +00:00
David L Parkhurst
9fe532eaaf Cleaned up Get_ and Set_ except for parser. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5661 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-29 18:51:39 +00:00
David L Parkhurst
4d728afcbe Removed MOVE_TO_STRUCTURES ifdefs. 
Removed most SKIP ifdefs

ran test cases OK.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-28 20:25:20 +00:00
David L Parkhurst
9efcd6ecb8 Finished all but loose ends with P_INSTANCEs. 
Did Surface, charge and comp.

Now can clean up some more.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-28 17:05:01 +00:00
David L Parkhurst
b7729cf254 Changed all check of input_error to get_input_errors for phreeqc. 
Started removing PHREEQC_PTR and P_INSTANCE. Redid all read_raw.

Breaks some echoing or printing of output. Need to check why.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5646 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-23 22:33:19 +00:00
David L Parkhurst
7eeeab4569 all classes inherit from PHRQ_base, except 
NameDouble, StorageBinListItem.

NumKeyword inherits from PHRQ_base, others inherit NumKeyword.

ChartHandler and ChartObject inherit from PHRQ_base.

CurveObject does not inherit from PHRQ_base.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5637 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-20 20:05:43 +00:00
David L Parkhurst
9f4eefd214 Made all the changes to add phreeqc pointer as argument to 
Phreeqcpp class methods.

Still compiles on Debug and Release, but problem with
phrq_malloc in cvdense and cvode.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-08 18:09:39 +00:00
David L Parkhurst
157e5cc729 Slowly adding arguments and qualifiers to pass phreeqc class instance to routines that need it. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3873 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-08 00:56:50 +00:00
David L Parkhurst
2b76f04a8b Cleaned up header files to remove unnecessary includes of .h files. Moved includes to source code where possible. 
Moved some methods for .h to source files to avoid need for includes.

Debug and Release compile. 

Still need to get class version working. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-07 19:49:38 +00:00
Scott R Charlton
07d5fa7413 merged 3750-3846 of plusify; system.cxx and system.h need to be formated 
removed char * and used std::string's and std::map's

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-03 01:49:56 +00:00
David L Parkhurst
d54c04039a Have converted std::list to std::map for all entities. 
surface is completed but needs testing.

SS and kinetics need to have reread of components implemented for MODIFY option.

gas_phase may be done, needs to be tested.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-10-28 19:15:17 +00:00
David L Parkhurst
d37ed2c6ae indented header files. 
removed ^M from System.h





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3169 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2008-10-31 15:32:53 +00:00
David L Parkhurst
7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2007-05-30 23:43:59 +00:00
David L Parkhurst
89c12ec0e6 using type and dl_type in Surface 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1315 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-10-16 16:03:36 +00:00
David L Parkhurst
11431ae291 packing and unpacking cxx classes for mpi is running 
need to check result.

changed SurfComp.h SurfaceComp.h
changed SurfComp.cxx SurfaceComp.cxx

changed SurfCharge.h SurfaceCharge.h
changed SurfCharge.cxx SurfaceCharge.cxx

Added Dictionary.cxx and Dictionary.h




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-05-04 00:02:01 +00:00