max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity
909 Commits 6 Branches 4 Tags
Commit Graph

272 Commits

Author SHA1 Message Date
David L Parkhurst
8f81bf1702 save state. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@12650 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-31 20:32:48 +00:00
Scott R Charlton
44e78b0291 replaced auto_ptr with unique_ptr for IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@12343 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-07 21:42:50 +00:00
Scott R Charlton
a742b01bd8 removed dw.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@11294 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-17 00:40:45 +00:00
Scott R Charlton
5298ed5d58 removed invalid assert 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@11128 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-29 01:00:07 +00:00
Scott R Charlton
8ed5bbb468 documented new optional slength argument to GetSelectedOutputValue 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10770 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-30 06:02:29 +00:00
Scott R Charlton
993349370d added code to initialize slength to zero for Fortran GetSelectedOutputValue 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10768 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-30 01:24:53 +00:00
Scott R Charlton
0c8eb2c8c2 added optional fortran argument to GetSelectedOutputValue for the string length 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10767 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-30 00:21:32 +00:00
Scott R Charlton
6d7569be78 added Dictionary/Serializer 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10612 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-29 02:11:34 +00:00
David L Parkhurst
863997d3ae First cut at parallelization. 
Runs with PhreeqcRM, but I don't think answers are right yet.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10561 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-10 20:56:20 +00:00
David L Parkhurst
258f1064aa Removed phreeqcpp/ from include statement. 
Added ifdef for PHREEQC_PARALLEL

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10557 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-09 16:50:33 +00:00
David L Parkhurst
bbbb610b16 Activated argument for number of threads. 
Typo in print.
Revised ASSERT to avoid asserting with std::cerr.


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10364 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-10-08 15:20:42 +00:00
Scott R Charlton
6512928772 commented out save from module 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10237 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-11 00:42:47 +00:00
Richard M Webb
21ed14bb6c Appears that variables are not initialized with each call, and previous values are persistent. 
Set all true/false variables to 0 to make sure they are initialized.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10231 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-10 17:54:45 +00:00
Scott R Charlton
14c544ea91 added safe_close to log_ostream; fixed segv for selected output 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10121 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-20 00:29:23 +00:00
Scott R Charlton
ebff3cc584 added reqd changes to compile on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10112 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-19 06:06:08 +00:00
David L Parkhurst
c1008adc1b Added public when inheriting from std::exception (IPhreeqcStop and PhreeqcRMStop). 
Rewrote dump to parallelized the dump_raw part.

More zlib changes for PhreeqcRM project.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10107 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-19 00:32:49 +00:00
David L Parkhurst
9fbd4da815 safe closed streams in IPhreeqc; set subsystem to console in order to stop after non-debug; set worker phrq_io error_ostream to std:cerr. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10089 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 22:41:27 +00:00
David L Parkhurst
f4815e2205 Catch std::exception 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10087 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 13:11:41 +00:00
David L Parkhurst
83de1657dc Add errprt in steady flow. 
Some changes in solution files, 
IPhreeqc catch std::exception and print meaning.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10086 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-17 13:05:39 +00:00
Scott R Charlton
24b9989c50 commmon -> common 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10058 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-08 02:38:22 +00:00
Scott R Charlton
fb33ab1e95 added common directory for Parser/PHRQ_base/PHRQ_io/phrqtype/Utils 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@10056 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-08 02:29:22 +00:00
Scott R Charlton
38a71d8350 bug fix for dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9723 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-26 07:48:17 +00:00
Scott R Charlton
a4495e79c6 unifying with CMake build 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-26 07:24:57 +00:00
Scott R Charlton
351ae02993 unifying CMake and configure builds 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9720 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-26 06:21:06 +00:00
Scott R Charlton
518a8d16f8 added missing fwrap.h/fwrap.cpp to EXTRA_DIST 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9717 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-22 03:50:48 +00:00
Scott R Charlton
dc90ea3c60 added comment 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9716 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-22 02:33:33 +00:00
Scott R Charlton
02feef6bce updated SetBasicFortranCallback for fortran module 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9715 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-22 01:12:48 +00:00
Scott R Charlton
c089909820 install src 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-21 21:49:18 +00:00
Scott R Charlton
9ca8fafe2d added inc files to dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9698 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-21 00:14:13 +00:00
David L Parkhurst
1edb7b89d9 working on print/punch processing issue 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-14 19:45:41 +00:00
Scott R Charlton
59af250088 fixed mismatched intents warning 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9643 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-12 22:52:34 +00:00
David L Parkhurst
0046094905 removed minimal rebuild in solution. 
added implicit none for all subroutine, functions, and interfaces.
removed unused variables (commented).
added explicit definitions for any variables missing declarations.
rewrote integers used as logical
ended do loops with a continue statement
fixed error with ch_basin_permil_ET in phreeq_mms.f90
Disabled some Fortran diagnostics
Fixed error in change of module for xdebug_start, xdebug_stop


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9474 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-07 17:26:35 +00:00
David L Parkhurst
f31a2c2679 len=l for callback fortran string. 
Made basic callback string a "const" in 8 places.


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9463 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-02 22:59:33 +00:00
Scott R Charlton
599603aaff added missing file for CMake 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9444 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-01 01:51:54 +00:00
David L Parkhurst
0fbbf16cba Close to having Basic callback working. 
Need to test Fortran, C, and C++.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9437 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-31 21:39:10 +00:00
David L Parkhurst
099e2fe058 length argument needed for callback. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9435 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-30 18:38:56 +00:00
David L Parkhurst
28e2eefe78 Working on IPhreeqc Basic callback. Compiles with ISO_C_BINDING, but may need some more debugging. 
Need to merge this change with PhreeqcRM-trunk.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9424 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-27 22:03:36 +00:00
Scott R Charlton
4719145a03 changed NO_IPHREEQC_FORTRAN_MODULE to IPHREEQC_NO_FORTRAN_MODULE 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-18 06:26:07 +00:00
Scott R Charlton
9db51aae38 working fortran 2003 builds 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9369 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-17 03:15:22 +00:00
Scott R Charlton
68cb2cc5e5 working on fortran/test integration 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9360 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-14 01:17:56 +00:00
David L Parkhurst
21b38a9779 removed FC_FUNC from IPhreeqc_interface_F.h, fixed padfstring to use int sofar 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9357 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-13 18:34:10 +00:00
David L Parkhurst
1709dc7c2b Tested all phast3 configurations on ex4. 
Changed default logic to write xyz only for count_chem cells.
   If NEW_STYLE_XYZ is defined, then xyz file contains nxyz cells.

write2_2.f90 changed to USE IPhreeqc
write5.f90 changed to USE IPhreeqc

TestRM advection_f90.F90 changed to USE IPhreeqc
TestRM species_f90.F90 changed to USE IPhreeqc

FortranAdvect.vfproj: IPhreeqc.f90.inc removed and IPhreeqc_interface.F90 added.

PhreeqcRM.vcxproj, PhreeqcRM.vcxproj.filters: fwrap files removed and IPhreeqc_interface_F.cpp added

phast3.vcxproj: added or corrected postbuild copy of zlib1, hdf5dll, and szlibdll.dll.
   removed OLD_STYLE_XYZ (logically it is now the default for xyz file).
   removed dead preprocessor definitions PHREEQC_CPP, MERGE_FILES, GZIP_RESTART, OMPI_IMPORTS

phastf.vfproj: removed IPhreeqc.f90.inc added IPhreeqc_interface.F90.

fwrap files are compiled if #ifdef IPHREEQC_NO_FORTRAN_MODULE

IPhreeqc_interface.F90 compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE
   fixed bug intent(inout) should have been intent(in) (constant character argument).
   fixed interfaces for SetBasicFortranCallback

IPhreeqc_interface_F.cpp compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-13 16:40:25 +00:00
Scott R Charlton
3770b76f8c updated for PhreeqcKeywords 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9355 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-13 06:14:19 +00:00
David L Parkhurst
92f0ac92aa Made IPhreeqc a Fortran module when IPHREEQC_MODULE is defined. 
fwrap routines are used if IPHREEQC_MODULE is not defined.
If IPHREEQC_MODULE is defined, then IPhreeqc_interface.F90 defines the Fortran Module.
    compile it with the user Fortran code.
IPhreeqc_interface_F.cpp is a modification of fwrap.cpp, which the Fortran Module functions call.
IPhreeqc_interface_F.h is a modification of fwrap.h used only by IPhreeqc_interface_F.cpp.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9347 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-11 16:18:41 +00:00
Scott R Charlton
6db24c4ddf changed the following in order to pass make check on linux 
#ifdef _DEBUG
  this->OutputFileOn = false;
#endif

to

#if !defined(NDEBUG)
  this->OutputFileOn = false;
#endif



git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9292 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-20 05:49:48 +00:00
David L Parkhurst
9e8433dd5b cast size_t to (unsinged int) 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9262 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-10 22:57:14 +00:00
Scott R Charlton
d67163bf5e reformatted for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-01-27 04:22:10 +00:00
Scott R Charlton
f87ea6d4b9 fixed f2cstring error that occurred when given an empty string 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9203 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-01-27 01:59:34 +00:00
Scott R Charlton
19075d934b added fimpl.h to dist 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9191 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-01-21 03:24:27 +00:00
Scott R Charlton
8fc13dc64e removed vs2008 directory and props 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9144 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-12-20 06:30:17 +00:00