max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 00:28:23 +01:00
Code Issues Packages Projects Releases Wiki Activity

Commit Graph

  • 3fe2fcd3bb Modified to run_cells if solution exists, even with no reactants. David L Parkhurst 2009-12-02 15:45:49 +00:00
  • 303864120a updated for COM object Scott R Charlton 2009-11-03 23:39:32 +00:00
  • 5de5c6f307 Needed to turn of echo when rereading components. David L Parkhurst 2009-11-03 19:41:47 +00:00
  • ff19c86d65 The tellg and seekg did not work for gz files because the methods are not implemented. David L Parkhurst 2009-11-03 17:55:36 +00:00
  • e35673205b Typo of file instead of stream for setting echo to file. David L Parkhurst 2009-11-02 20:43:37 +00:00
  • c73fc4b2e9 Modifications for Linux. David L Parkhurst 2009-11-02 15:34:29 +00:00
  • b3b22f3fd5 New class David L Parkhurst 2009-11-02 15:25:39 +00:00
  • 259c0839f0 Added new class runner. David L Parkhurst 2009-10-30 22:27:43 +00:00
  • 5f9cf78f01 Modified for parallel version. Had some lists in the pack and unpack routines that now are maps. David L Parkhurst 2009-10-29 20:08:56 +00:00
  • cd38a8036d Have done preliminary testing with all MODIFY keywords. David L Parkhurst 2009-10-29 19:53:35 +00:00
  • d54c04039a Have converted std::list to std::map for all entities. David L Parkhurst 2009-10-28 19:15:17 +00:00
  • f015759286 exchange_modify is working. David L Parkhurst 2009-10-27 22:57:49 +00:00
  • a6b6c7756a Updated phreeqcpp to have examples from phreeqc. David L Parkhurst 2009-10-27 20:29:04 +00:00
  • b9e38f4da8 Updated phreeqcpp to have examples from phreeqc. David L Parkhurst 2009-10-27 20:29:04 +00:00
  • cbfb768381 Initial testing of SOLUTION_MODIFY and EQUILIBRIUM_PHASES_MODIFY. David L Parkhurst 2009-10-27 16:38:25 +00:00
  • 2fd35ce463 Delete, Dump seem to work. David L Parkhurst 2009-10-23 00:03:23 +00:00
  • 74bb0bc5d0 For dump and delete, added StorageBinList David L Parkhurst 2009-10-22 19:26:38 +00:00
  • 79092e94b4 Have added delete, but parser is not working correctly. Am going back to 3705 to see if it worked correctly then. David L Parkhurst 2009-10-22 19:24:31 +00:00
  • 6ca3a6d3b2 Added the suite of modify keywords: SOLUTION_MODIFY EQUILIBRIUM_PHASES_MODIFY EXCHANGE_MODIFY SURFACE_MODIFY SOLID_SOLUTIONS_MODIFY GAS_PHASE_MODIFY KINETICS_MODIFY David L Parkhurst 2009-10-21 19:40:43 +00:00
  • c3d4c1c462 Subsequent simulation wiped out dump file even though there was no dump. Check to see if dump file is needed before opening file in dump_entities. David L Parkhurst 2009-10-07 16:19:39 +00:00
  • 4d71795183 Added dump files. David L Parkhurst 2009-10-06 23:00:51 +00:00
  • a81cd945b3 Added dump datablock for phreeqcpp David L Parkhurst 2009-10-06 22:55:15 +00:00
  • ccd310298d SOLUTION_RAW: c++ version used in PHAST misinterpreted the element Tc as the temperature identifier and crashed when additional elements followed in -totals or -activity_coefficients. David L Parkhurst 2009-08-12 16:55:42 +00:00
  • 45d120f629 Fixed bug with reallocation for Read_raw for storage bin. Was allocating space for a pointer array instead of structure arrays for exchange, surface, etc. ReadClass.cxx. David L Parkhurst 2009-04-20 20:40:12 +00:00
  • ff282a405f Missed one line for struct to class conversion of ppassemblage for precipitate_only. David L Parkhurst 2008-12-09 22:39:51 +00:00
  • e398c418f0 Updated PHREEQCPP to have precipitate_only option for pp_assemblage. David L Parkhurst 2008-11-24 17:44:38 +00:00
  • cefe071f17 Reindented, fixed errors, ran test cases. David L Parkhurst 2008-10-31 19:09:45 +00:00
  • d37ed2c6ae indented header files. David L Parkhurst 2008-10-31 15:32:53 +00:00
  • 3313c814a9 Ran indent program on phreeqcpp David L Parkhurst 2008-10-31 15:19:39 +00:00
  • 60d57c5062 Delete kinetics.h at PhreeqcPP src level. Duplicate I assume David L Parkhurst 2008-09-18 15:46:01 +00:00
  • 193e8ef865 Bug with adding mixing solution when already in list. Replaced old fraction with new fraction. Now adds the two fractions. David L Parkhurst 2008-04-24 23:59:55 +00:00
  • d40ecc240a Created folder remotely David L Parkhurst 2008-04-10 16:34:45 +00:00
  • f8e54fd93e Added comparison to phreeqc David L Parkhurst 2008-03-21 20:31:40 +00:00
  • 062f9967aa phreeqcpp with new compiler version. Same as phreeqc results. David L Parkhurst 2008-03-20 22:57:25 +00:00
  • 7a60bb9877 Write around assert. David L Parkhurst 2008-03-11 22:04:33 +00:00
  • d106dbea5c Added missing tests from phreeqc/mytest and related files: netpathxl eq_EC salt_ec David L Parkhurst 2008-02-19 23:28:29 +00:00
  • 25666df97c Used new gcc on srv2rcolkr. David L Parkhurst 2008-02-19 22:05:11 +00:00
  • b9520a207f Worked on dependencies for Makefile. David L Parkhurst 2008-02-14 17:56:32 +00:00
  • a920a2aac6 PHREEQC 2.15.0 David L Parkhurst 2008-02-11 16:01:07 +00:00
  • bfec3cc7c7 Missing break in kinetics_read_raw switch. David L Parkhurst 2008-02-07 23:14:24 +00:00
  • 3f9693c68c Updated C++ to have new variables for KINETICS cvode_steps, cvode_order. David L Parkhurst 2008-02-05 21:41:45 +00:00
  • f630dd8377 added linker option to check for --hash-style availability Scott R Charlton 2008-01-15 01:20:44 +00:00
  • 711f5f948e Fixed syntax for bash David L Parkhurst 2007-11-20 21:34:23 +00:00
  • 470555157f Added code to run windows without editing David L Parkhurst 2007-11-19 21:28:44 +00:00
  • 5764f894ad Simplified get_total_element a bit David L Parkhurst 2007-11-08 00:08:45 +00:00
  • f4777a194b Fixed bug, and streamlined. David L Parkhurst 2007-11-07 22:23:47 +00:00
  • 3f93ab5a1c Tried optimizing get_total_element using std::strings David L Parkhurst 2007-11-07 18:28:25 +00:00
  • 560c45ad40 phreeqcpp results match phreeqc David L Parkhurst 2007-10-01 23:01:44 +00:00
  • e7ec5c7691 Removed echo that was always true. Made huge string that crashed restart. Results are same without the removed lines. David L Parkhurst 2007-09-21 19:01:46 +00:00
  • 8d475282bf Added read_raw_keyword. David L Parkhurst 2007-09-20 19:09:38 +00:00
  • 93683e57ef No memory leak check in output files. David L Parkhurst 2007-08-30 16:36:35 +00:00
  • 75255ea2f2 No memory leak check in output files. David L Parkhurst 2007-08-30 16:36:35 +00:00
  • e3859a08c3 reordering mpi.h David L Parkhurst 2007-08-28 20:45:29 +00:00
  • 37b1add946 Ifdef'd ORCHESTRA. David L Parkhurst 2007-08-16 19:49:38 +00:00
  • 7ab1e21ce7 Works with reaction calculation of pure phase equilibrium. David L Parkhurst 2007-08-16 18:51:35 +00:00
  • c78dd87daf Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results. David L Parkhurst 2007-08-07 15:04:13 +00:00
  • 0f2ef116f2 Have version working that formats an input file for Orchestra, runs Orchestra with a system call to a batch file, reads results from Orchestra, stores results in global phreeqc storage, and prints results. David L Parkhurst 2007-07-31 19:07:25 +00:00
  • ea61d055f0 Can read a solution result from Orchestra.cxx David L Parkhurst 2007-07-30 15:07:20 +00:00
  • 1848045bd9 Added new functions to allow multiply. David L Parkhurst 2007-06-21 19:50:55 +00:00
  • c5d2d6d80d Fixed some warnings found by Studio (casts) David L Parkhurst 2007-06-15 21:28:13 +00:00
  • b2dd9ad8d1 Simplified test for missing solution. David L Parkhurst 2007-06-15 19:46:31 +00:00
  • 0bebfae5a5 Fixed bug in get_total_element David L Parkhurst 2007-06-04 22:49:27 +00:00
  • 4145b60e10 Fixes for cxx version of xsolution_save (constructor(n_user)) David L Parkhurst 2007-06-04 19:25:10 +00:00
  • 8a84d79562 End of line for now, have solution and exchange saving from c storage after calculation. David L Parkhurst 2007-05-31 22:48:39 +00:00
  • a7a19e57f4 Still has problems, but roughed in xsolution_save and xexchange_save as constructor methods for Solution and Exchange. Takes c storage and makes C++ objects after a calculation. David L Parkhurst 2007-05-31 21:59:00 +00:00
  • 7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk David L Parkhurst 2007-05-30 23:43:59 +00:00
  • 8b99971aca New compiler, lots of diffs in test cases. David L Parkhurst 2007-05-09 21:26:19 +00:00
  • 4a5bbef324 New compiler, lots of diffs in test cases. David L Parkhurst 2007-05-09 21:26:19 +00:00
  • 546c3e8e95 Had extra :: qualifiers, not needed in header file. David L Parkhurst 2007-03-16 18:12:22 +00:00
  • 2b442eef30 git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1723 1feff8c3-07ed-0310-ac33-dd36852eb9cd David L Parkhurst 2007-01-30 01:34:18 +00:00
  • 93a7759e1b Beginning to revise cpp classes. David L Parkhurst 2007-01-30 01:05:44 +00:00
  • bd852de57c removed extraneous cxxDictionary:: from int2char method Scott R Charlton 2007-01-20 01:22:45 +00:00
  • 4f7eec29d6 gcc did not like comma at end of enumeration David L Parkhurst 2007-01-10 23:46:29 +00:00
  • 07f03ea2e5 Fixed echo in parser for ReadClass.cxx. David L Parkhurst 2007-01-10 23:19:56 +00:00
  • 2dc33fb7ae Working on echoing for CParser David L Parkhurst 2007-01-10 21:45:56 +00:00
  • 3320ef3c93 removed error increment in get_option. Logic allows a missing option in component reads, which bubble up to keyword reads. David L Parkhurst 2007-01-10 16:57:42 +00:00
  • 9eb4ac7a7d Updated with phreeqc files. David L Parkhurst 2007-01-10 00:03:03 +00:00
  • 888140c4a5 Updated with phreeqc files. David L Parkhurst 2007-01-10 00:03:03 +00:00
  • eb5b95110d Stray debug print removed from StorageBin. David L Parkhurst 2006-11-01 20:03:05 +00:00
  • 4230069264 fixed warn again. David L Parkhurst 2006-11-01 16:00:47 +00:00
  • 915c4069b4 Added alternative diff with -bw David L Parkhurst 2006-10-27 21:26:45 +00:00
  • 6b0ccbcc51 Fixed bugs with zero.sed. David L Parkhurst 2006-10-26 23:36:58 +00:00
  • 753bbfc50e Now using zero.sed. David L Parkhurst 2006-10-26 16:05:52 +00:00
  • a286af2263 ran zero.sed on all files. David L Parkhurst 2006-10-26 15:59:40 +00:00
  • f8c7968c72 Fixed incorrect casts. David L Parkhurst 2006-10-26 14:55:32 +00:00
  • e78a8f5c1a Fixed some bugs in C++ classes. David L Parkhurst 2006-10-24 22:11:23 +00:00
  • 52ab13ec09 Fixed some bugs in C++ classes. David L Parkhurst 2006-10-24 22:11:23 +00:00
  • 812bb1adcc Updated with Tony's MCD additions to Surface and SurfaceComp classes. David L Parkhurst 2006-10-20 20:04:59 +00:00
  • e4ca1d77c5 Forgot to include force_equality in PPassemblageComp David L Parkhurst 2006-10-16 21:14:22 +00:00
  • 7953591e5c Working through changes to surface structure David L Parkhurst 2006-10-16 19:47:27 +00:00
  • 119b032594 Had not included formula_totals and formula_z in structure. David L Parkhurst 2006-10-16 18:46:30 +00:00
  • 89c12ec0e6 using type and dl_type in Surface David L Parkhurst 2006-10-16 16:03:36 +00:00
  • 217bdd7708 Converted to VS2005. Scott R Charlton 2006-07-11 03:45:46 +00:00
  • cb46a1debf Removed warning messages from compiler David L Parkhurst 2006-07-07 22:13:43 +00:00
  • 309d3d7bee Fixed cast warnings in c++ David L Parkhurst 2006-07-07 21:27:45 +00:00
  • eb039d54e2 Updated to latest PHAST cpp files. David L Parkhurst 2006-05-24 13:50:19 +00:00
  • a524c46106 Updated to latest PHAST cpp files. David L Parkhurst 2006-05-24 13:50:19 +00:00
  • 382075cc6a Couple changes for exchange mixing David L Parkhurst 2006-05-18 16:15:04 +00:00
  • 1e28de647f changed automatic arrays to dynamic arrays Scott R Charlton 2006-05-16 01:10:25 +00:00
  • 6df20749e2 Added mix_cxxExchange to storage bin with assorted routines and changes to make it work. David L Parkhurst 2006-05-12 19:26:37 +00:00