36 Commits

Author SHA1 Message Date
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
626d678296 Added setdiff_c method.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-03-04 16:38:33 +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
49ba8bca71 Working on edl for PHREEQCRM
Adding edl_species for PHREEQC.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-06-30 17:06:53 +00:00
David L Parkhurst
8e104d5463 Roughed in surface area calculation by DeClercq (sa_declercq for now).
Fixed bug where H+ was missing from list of aqueous species generated by SYS.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9230 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-02-03 15:58:09 +00:00
David L Parkhurst
8262d5f224 Added diff_c function to basic.
Added test case diff_c to mytest.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9072 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-11-18 18:29:27 +00:00
David L Parkhurst
346cf2239b Added a Fortran callback.
Will try to revise so that the same callback works for Fortran and C.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7883 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-05 18:56:31 +00:00
David L Parkhurst
a03d2ae87e Added f = EQ_FRAC("AlX3", eq, x$)
Also added synonyms PHASE_FORMULA$ and SPECIES_FORMULA$.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7829 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-16 19:25:14 +00:00
David L Parkhurst
ff764f3fe5 Added species_formula("CaOH+", count, elt$, coef)
returns
Ca 1
O  1
H  1
charge 1 
in elt$ and coef.
count is 4.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7827 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-16 16:37:19 +00:00
David L Parkhurst
102ce31980 Revised manual: Figure 8 had part B twice and was missing part A.
Fixed in Version 3 in previous check in.
Fixed in doc.
Fixed in HTMLversion examples.fm, and reset cross refs so all .fm files changed.
Replaced phreeqc3-232.gif with revised figure.

Fixed system_total_si to return max SI, returned zero if max SI was less than zero.
Added Basic function tokstr_e$ to format a number in exponential form.
log10 not checked for positive argument, probably will print NaN if result is printed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7782 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-01 19:04:05 +00:00
David L Parkhurst
56ca1c2c0e Added Basic function STR_F$(x, w, d), where x is the number to format, w is the field width, and d is the number of decimal places.
PRINT STR_F$(1/3, 10, 2) produces "     0.33"

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7765 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-06-14 22:35:45 +00:00
David L Parkhurst
47d0c62fc3 Added new Basic function kin_time, which is the time interval for the current kinetic integration.
kin_delta/kin_time is the average rate over the time interval.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7676 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-05-01 16:14:16 +00:00
David L Parkhurst
98baecfe0d Added two new functions.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-10-26 21:55:04 +00:00
David L Parkhurst
ad3e78e2f5 Added Basic functions GFW and SOLN_VOL.
Added test case gfw in mytest and added to Makefile

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6796 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-18 19:15:04 +00:00
David L Parkhurst
8823f0ff2f Added STATIC_VOPTS to make vopts static, not static unless defined.
Guy had problems with static variables with OpenMP.

Also removed other static variables fpunchf_user s_warning and buffer, spread length, utilities spinner. Put in Phreeqc.h.

Removed static fnbuf from Pbasic.cpp, put in Pbasic.h.

I think only static variables are in Keywords.h and are necessary for initialization.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6770 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-11 16:23:02 +00:00
David L Parkhurst
782106e4a6 Tony's changes
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6762 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-10 16:33:00 +00:00
David L Parkhurst
b984ef5a61 Tony added function DH and Qbrn.
Added Cyan, Brown, Lime, Gray.

NPP def for PHRQ_io_output

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6583 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-05-23 15:18:27 +00:00
David L Parkhurst
f1e2ecdda2 Tony's changes 20120423.
Changed to supcrit for phreeqc.dat and pitzer.dat.

Updated test cases. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6528 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-24 18:17:47 +00:00
Scott R Charlton
c892ae27f9 BasicObj
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6308 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-29 02:47:43 +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
50ba9dbe43 Made minor class of valrec
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6090 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-20 22:55:02 +00:00
David L Parkhurst
23121d7876 Initialize PBasic structures.
Fixed logic bug with kin_time in Advection

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6088 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-20 18:21:18 +00:00
David L Parkhurst
90f308452a Added erase basic function.
Some Kewords:: qualifiers were still missing.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5838 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-30 21:48:21 +00:00
David L Parkhurst
02119ae8db Fixed but for David Kinniburg.
Trim example overflowed allowed space (256?). Modified factor to use
std::strings to avoid overwrite.

Made string pad const char argument.

Assert in check_line was incorrect for EOF.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5826 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-28 19:52:27 +00:00
David L Parkhurst
aa77b78d40 Tony's changes to gases.
Merges Crapsi changes with his changes.

Some new test cases.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5797 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-21 19:06:24 +00:00
David L Parkhurst
5ec591a0b0 Update to VS2010.
Update to latest phreeqcpp ErrorHandling.

Partially fixed Boost/VS2010 bug. Still need fix for resize.

Using _ITERATOR_DEBUG_LEVEL=0 for debug version for now.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-21 16:22:43 +00:00
Scott R Charlton
79b256e44a added code to handle IDS_*
added code for HANDLE
#ifdef'd the WaitForSingleObject



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5786 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-17 00:43:10 +00:00
David L Parkhurst
4268bd9316 Merging Basic1.
Need to fix IDS and handler.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5785 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-16 22:42:48 +00:00
David L Parkhurst
2a8089a8b1 Merging Basic1 from PhreeqcI into Basic.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5784 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-16 18:20:58 +00:00
David L Parkhurst
9d1dc096a0 Made PBasic commands static, initialized only once.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5783 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-16 15:58:42 +00:00
David L Parkhurst
29276b982b More cleanup of PBasic.cpp
Removed PASCAL_MAIN.
Removed Anyptr.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5761 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-10 16:10:01 +00:00
David L Parkhurst
7271b9d5cb Replaced TRY/RECOVER with try/catch
Replaced boolean with bool.

Tony's minor changes to basicsubs and ChartObject.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5760 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-10 15:30:43 +00:00
David L Parkhurst
122f2b8772 Cleaned up PBasic some.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5757 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-09 20:08:32 +00:00
David L Parkhurst
ff2d48f1ad Going with new PBasic.
Removing basic.h, basic_class.h, basic.cpp, p2c.h, and p2clib.cpp.

renamed to basic_interpreter.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5755 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-09 15:50:24 +00:00
David L Parkhurst
579d5a3f05 Fixed up PBasic for Linux.
Checked in test cases; PBasic gives same result as non-PBasic.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5750 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-08 23:53:07 +00:00
David L Parkhurst
40f0539ebe PBasic files.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5740 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-07 20:11:56 +00:00