54 Commits

Author SHA1 Message Date
David Parkhurst
f07caf973b Changed back print to allow incremental_reactions to work correctly 2019-11-18 20:32:46 -07:00
David Parkhurst
8089c10273 initial Tony changes 2019-10-22 16:36:15 -06:00
David Parkhurst
2b14a9475c Tony's changes 20190117 2019-01-28 17:24:59 -07:00
David Parkhurst
5a35e0278b Fixed Linux warnings, memory errors 2018-08-16 20:35:44 -06:00
David Parkhurst
53148278fc Tony's changes; diffuse layer with pitzer 2018-08-01 17:44:32 -06:00
David Parkhurst
86a55b5b5d Tony's changes from 20180305 2018-03-07 17:08:33 -07:00
David Parkhurst
8e12139000 Fixed bug from Shell. Segv because s_list.size differed from count_s_x.
Fixed compiler warnings from jenkins.
2018-02-22 14:45:39 -07:00
David Parkhurst
fa7a3c7192 Tony's changes and bug fixes 2018-02-17 20:09:31 -07:00
David L Parkhurst
2c1f1b3354 Synced with PHREEQC 12683.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12683 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-04-25 18:03:14 +00:00
David L Parkhurst
e3bac3dbb9 Updated to svn 12361 on trunk
Added documentation for density calculate



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12635 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-03-29 20:48:54 +00:00
David L Parkhurst
9d2762b15e Merge to trunk 12441.
if def comment about Ampere

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12444 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-02-17 00:14:46 +00:00
David L Parkhurst
025d2a1ee1 Merged in Tony's changes for electro diffusion.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-02-09 17:17:10 +00:00
David L Parkhurst
9bf1411f42 Updated to PHREEQC3 12386
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12387 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-02-09 16:41:47 +00:00
David L Parkhurst
4405e60e4e Merged source up to phreeqc3-trunk SVN 10892
copied files from trunk and merged changes manually.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10893 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-03-04 18:13:43 +00:00
David L Parkhurst
fb18be24e2 Tony's implementation of electric current.
Test case current1.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10550 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-12-08 16:54:38 +00:00
David L Parkhurst
e6d44638b3 Extra print for Donnan Layer psi from Tony.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10177 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-08-27 15:22:34 +00:00
David L Parkhurst
6309425ae9 First try at constant capacitance model.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9331 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-05 18:12:53 +00:00
Scott R Charlton
9f77e000d5 fixed some of the easier clang++ scan-build bugs
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8908 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-08-05 05:51:47 +00:00
Scott R Charlton
25508288fb removed set but not used variables using gcc 4.8.2[-Wunused-but-set-variable]
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8821 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-09 01:46:43 +00:00
Scott R Charlton
9d05f14cbd removed extra comma
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8729 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-05-08 02:38:33 +00:00
David L Parkhurst
8e81c17eb2 Next try on DELETE; -all
Fixed warnings for MAC lion operating system

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-05-07 21:27:47 +00:00
Scott R Charlton
63a9c36ad8 changed so that 'dist' and 'time' are always doubles for R
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-02-06 00:40:58 +00:00
David L Parkhurst
4ec2784a6b Tony's fix to solution volume.
Added test case, updated Makefile
Added comment to Release.txt

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-01-07 16:11:24 +00:00
David L Parkhurst
9d1f0e34e5 set unknown state just in case.
extra indent in write_raw for solution in front of -pH

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8071 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-09-23 18:25:40 +00:00
Scott R Charlton
adf7d98498 Merged revision(s) 7863-7986 from phreeqc3/branches/multi_punch:
Branching at 7862 for multiple SELECTED_OUTPUT, USER_PUNCH
........
Have multiple SELECTED_OUTPUT working.

Need to have multiple USER_PUNCH.
........
Think multiple instances of both SELECTED_OUTPUT and USER_PUNCH are working.
........
Fixed up inverse.cpp a bit.
........
Fixed missing -pressure in solution dump_raw and read_raw.
........
Merging revisedfandg back into trunk. Makes Excel spreadsheet for carbon-14 dating.

OK by Niel. Has Revised_Fontes_ and_Garnier_ in_NetpathXL.docx to add for documentation.
........
Added Revised_Fontes_ and_Garnier_ in_NetpathXL.docx to installation
Fixed bug that wouldn't allow uninstall
........
updated ftp targets
........
NetpathXL 1.4
........
checkin from make
........
latest test with change in Pitzer pressure, -pressure in SOLUTION_RAW, runs modify_test, has error
........
bugs linux caught, something different about when to print headings
........
Working on multipunch
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working on high_precision, using SELECTED_OUTPUT 1
........
dump precision
........
Added basic functions:
EQ_FRAC
KIN_TIME
SPECIES_FORMULA
STR_F
STR_E
Added //{{NEW BASIC HERE}} for updating BASIC routines

........
Making backward compatible.

Copying all but lists.

Revised tidy_punch logic.
........
Still working to make backward compatible.

Think there will be one diff, headings will not be rewritten (ddl_flux).
........
updated dump tests (new -pressure line)
........
multi_punch branch

........
Added a Fortran callback.

Will try to revise so that the same callback works for Fortran and C.
........
Revised name to BasicFortran

Added methods for C call SetBasicCallback.

Need to check C side and documentation.
........


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7987 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-28 23:11:07 +00:00
Scott R Charlton
ab6875b5f2 solid_solutions had extra s in selected_output headings
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7977 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-28 04:59:11 +00:00
David L Parkhurst
43f5baf0bd Tony's latest changes, including F1 and F2.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7962 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-26 20:20:16 +00:00
David L Parkhurst
ec4fa77cba changed print.cpp for Molar volume when not PR
Revised Tony organization of tidy_gas_phase.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7935 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-14 19:06:36 +00:00
David L Parkhurst
25a990751b Tony's rewrite of tidy_gas_phase, still pretty ugly.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7933 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-14 15:34:04 +00:00
Scott R Charlton
6eaca680af all tests passing for one selected_output file;
may still need additional tests for TestIPhreeqc case1 and case2

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7919 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-12 22:24:18 +00:00
David L Parkhurst
a49f540ee5 Tony's wording for fugacity
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7896 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-08 19:54:14 +00:00
David L Parkhurst
1e8a8c036a Update RELEASE.TXT
Added print about fugacity for SI.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7889 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-07 19:11:07 +00:00
David L Parkhurst
04141a3098 Still working to make backward compatible.
Think there will be one diff, headings will not be rewritten (ddl_flux).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7880 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-02 17:38:40 +00:00
David L Parkhurst
3893414278 Think multiple instances of both SELECTED_OUTPUT and USER_PUNCH are working.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7865 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-31 23:07:07 +00:00
David L Parkhurst
276322a936 Have multiple SELECTED_OUTPUT working.
Need to have multiple USER_PUNCH.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-31 19:26:34 +00:00
David L Parkhurst
6b8ccd828c latest tests 7837; some Linux warnings in src
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7838 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-17 21:52:44 +00:00
David L Parkhurst
87fea86961 Tony's changes 6/1 for pr.
Set gas volume to zero if fixed pressure and no moles of gas.
Add test cases low_t (minimum mu), modify_zero (set total to zero in SOLUTION_MODIFY), and volume-zero (no moles of gas in fixed pressure gas phase, volume should be zero).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7756 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-06-03 22:41:44 +00:00
David L Parkhurst
145fcc00ba vcxproj has some change.
Tony's updates to initialize pr_in

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7741 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-29 19:56:14 +00:00
David L Parkhurst
11ef24eb4b replaced Find with pp_assemblage_comp_ptr stored in struct unknown
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7723 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-16 17:58:27 +00:00
David L Parkhurst
ed46140f3c Remove strcmp from calc_vm, calc_delta_v, calc_lk_phase
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7718 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-14 20:40:44 +00:00
David L Parkhurst
c9c8a7ac65 Fixed volume print for -gas in SELECTED_OUTPUT. Added Gas_FixVolume test case.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7702 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-08 18:43:42 +00:00
David L Parkhurst
b23fb304f5 still working on print of saturation indices for gases
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-29 19:23:45 +00:00
David L Parkhurst
0607e086c5 Fix print of PR gases in saturation_indices.
more replacing '.

Amm.dat and pitzer.dat updated to GCA paper.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-29 16:05:21 +00:00
David L Parkhurst
e60d708c84 Some of Tony's changes that I missed.
Removed some but not all '

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-26 14:26:24 +00:00
David L Parkhurst
2c9611d04a tony fix to print 20130425
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7644 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-25 16:42:21 +00:00
David L Parkhurst
4cb5d32f0d Added phi to gas_phase print. Test case gas_phase_pressure
Still need to debug problem with gas_phase not working correctly from Thomas Baumann.

Fixed spread problem with mass of water. Test case MassWater

Problems with kinetics and small concentrations (Benoit and Janek) still unresolved.

Added test cases to Makefile

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7642 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-24 15:31:49 +00:00
David L Parkhurst
2ba41a620a More fixes to saturation index.
Tony added some for NPP.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7558 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-03-18 20:06:03 +00:00
David L Parkhurst
82fc3b7ef5 Reverting from Tony's fix to my fix for saturation index of pure phases with pressure.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7553 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-03-14 17:00:53 +00:00
David L Parkhurst
acd7d32d59 Fixed bug in SI of pure phase assemblage that did not account for pressure (Tony's version).
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7550 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-03-14 00:23:24 +00:00
David L Parkhurst
6899bc4ba7 fixes bug with cd_psi in model.cpp.
Bug with printed saturation indices with pressure.

prep: rewrote calc_delta_v(reaction *r_ptr, bool phase) to handle phase and species separately.
print: calculate pressure term for rxn before printing value.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7547 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-03-12 18:07:31 +00:00