97 Commits

Author	SHA1	Message	Date
David Parkhurst	9022ded877	Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases	2021-07-06 21:52:06 -06:00
David Parkhurst	48cb5e8969	Including OH- in converting units. Revised calculated density for H+ and OH-. Makes a difference in several test cases. Removed timing at end of .out in test cases. Checking in all test cases and selected output.	2021-06-10 17:21:08 -06:00
David Parkhurst	47e1ce5dfb	added OH in density iteration calculation, test case NaOH_density	2021-06-07 16:23:20 -06:00
David Parkhurst	2212f9ccb1	fixed bug in reprep when sit had surface species. Added capability of sit + edl, have not tested it	2021-05-10 13:36:52 -06:00
Scott R Charlton	d0c821238d	[phreeqci] added 'new' debugging	2021-04-19 17:17:02 -06:00
David Parkhurst	369733e9b5	converted to classes	2021-04-06 22:21:54 -06:00
David Parkhurst	33157a2011	fixed more size_t and initialized all structs	2021-04-02 23:55:59 -06:00
David Parkhurst	006d1de970	reorganizing	2021-04-02 13:52:30 -06:00
David Parkhurst	287f81cdea	elt_list vectorized	2021-04-02 12:23:30 -06:00
David Parkhurst	28de8b5cda	more size_t	2021-04-01 22:19:48 -06:00
David Parkhurst	d2e3a4e5b6	Removed cxxChemRxn	2021-04-01 20:24:32 -06:00
David Parkhurst	ce64720196	cleaned up, removed struct reaction	2021-04-01 18:30:59 -06:00
David Parkhurst	028e90899c	moving to CReaction	2021-04-01 16:58:43 -06:00
David Parkhurst	dc2dc5312f	vectorized token	2021-04-01 09:19:14 -06:00
David Parkhurst	9fd3f2a26a	save_values rewritten with map	2021-03-30 23:48:37 -06:00
David Parkhurst	318e267cf7	(size_t) max and count	2021-03-29 21:15:00 -06:00
David Parkhurst	16fd18fe5e	removed string_duplicate from prep.cpp	2021-03-27 15:26:55 -06:00
David Parkhurst	157a458446	description_x	2021-03-26 22:30:28 -06:00
David Parkhurst	c748922b5e	added const qualifier for all the parsing	2021-03-26 15:16:04 -06:00
David Parkhurst	48e6b939d2	fixed a new master, advection punch_temp and print_temp, some tidying	2021-03-24 23:06:21 -06:00
David Parkhurst	5f21dafa04	unknown->master now a vector. Using size instead of a null to end list.	2021-03-24 21:54:37 -06:00
David Parkhurst	2b14f8090e	last_model	2021-03-24 11:20:03 -06:00
David Parkhurst	6907bb06c4	base, sit arrays	2021-03-24 08:31:54 -06:00
David Parkhurst	d82d5d610f	vector llnl parameters, removed hash references	2021-03-23 19:24:09 -06:00
David Parkhurst	2f380479b1	size_t for subscripts	2021-03-20 14:03:20 -06:00
Charlton, Scott R	f8e05c176f	only call qsort with more than one element	2021-03-19 17:32:10 -06:00
David Parkhurst	d4cc14ef43	vector x	2021-03-16 19:03:54 -06:00
David Parkhurst	41b9965576	vector species_list	2021-03-16 17:12:41 -06:00
David Parkhurst	449a54f61e	vector mb_unknowns	2021-03-16 16:36:02 -06:00
David Parkhurst	51514eb125	vector delta, sum_jacobx	2021-03-16 15:50:20 -06:00
David Parkhurst	f0707aa0b3	vector sum_mb1, sum_mb2	2021-03-16 14:50:43 -06:00
David Parkhurst	7d303de1b4	vector trxn.token	2021-03-16 13:19:51 -06:00
David Parkhurst	83cfb298d6	elt_list, moved qsort to elt_list_combine	2021-03-16 08:41:20 -06:00
David Parkhurst	e8c90279e6	vector elt_list	2021-03-16 00:23:56 -06:00
David Parkhurst	b87d0cdd04	vector my_array, residual, delta	2021-03-15 20:23:11 -06:00
David Parkhurst	622d3618a5	vector s_x	2021-03-15 18:21:12 -06:00
David Parkhurst	3c9f5946ef	vector master	2021-03-15 14:27:30 -06:00
David Parkhurst	de1ba62395	vector s	2021-03-15 13:21:14 -06:00
David Parkhurst	e7c78a88ad	vector phases	2021-03-15 12:33:49 -06:00
David Parkhurst	a99253764f	(void)sscanf, removed SKIP, removed PHREEQ98	2021-03-12 18:11:29 -07:00
David Parkhurst	81e862db5d	Tonys changes Mar 10. SIs in inverse calulations	2021-03-10 14:08:03 -07:00
Parkhurst, David L	e1465e3322	Commit from David's Email 2020-05-22; Implementing llnl-type databases with higher temperature nad pressure	2020-05-22 15:05:28 -06:00
David Parkhurst	8089c10273	initial Tony changes	2019-10-22 16:36:15 -06:00
David Parkhurst	4676ee4de7	added more P-R gas paramteters	2019-10-20 12:27:48 -06:00
David Parkhurst	2b14a9475c	Tony's changes 20190117	2019-01-28 17:24:59 -07:00
David Parkhurst	4842d9efba	inverse iter 100000; finished copy operator; a bit more testing to go	2018-08-21 11:33:27 -06:00
David Parkhurst	7c0fb65b72	[phreeqc3] needed to check gas phase type for same model, added test case	2018-08-06 14:04:12 -06:00
David Parkhurst	53148278fc	Tony's changes; diffuse layer with pitzer	2018-08-01 17:44:32 -06:00
David Parkhurst	2e390fd5ab	commit fix for Mtg	2018-08-01 13:17:39 -06:00
David Parkhurst	b0fdcc41e4	Added Mtg(g) in calc_PR	2018-03-04 20:48:19 -07:00