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Author	SHA1	Message	Date
David Parkhurst	8be1ba8327	revised jacobian_pz with new logic. Works with fixed_pressure examples H2S, H2S_pz, H2S_pz_appt, H2S_NaCl_Na2SO4.	2021-07-10 16:37:37 -06:00
David Parkhurst	71cf2a97b7	still produces different residuals	2021-07-07 23:55:03 -06:00
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	4aefb0660a	allow Fe(+3), equivalent to Fe(3), in TOT and TOTMOL. Previously fixed in SELECTED_OUTPUT -total	2021-06-03 13:04:35 -06:00
David Parkhurst	bea0ad10a0	unused variable, punch Fe(+3)	2021-05-28 09:03:14 -06:00
David Parkhurst	eaf788b473	fixed add_constant, undefined surface null pointer, added test cases	2021-05-10 17:37:13 -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
David Parkhurst	79956e3d9f	made tally_table a vector of class tally	2021-04-26 23:38:21 -06:00
Darth Vader	58b0d1fccf	Merge commit 'd77c11ec700085f19b76af6543013e23ee0739d3'	2021-04-23 20:14:07 +00:00
Scott R Charlton	63175ab743	[phreeqci] fixed header error with phast	2021-04-23 14:06:58 -06:00
Scott R Charlton	d77c11ec70	[phreeqci] fixed header error with phast	2021-04-23 14:06:58 -06:00
Scott R Charlton	0feb71507f	[phreeqci] fixed WINDOWS.H already included error on windows builds	2021-04-22 14:11:23 -06:00
Scott R Charlton	123cc8a5f5	[phreeqci] fixed _ASSERTE error on linux builds	2021-04-22 12:00:09 -06:00
Scott R Charlton	22c4a624a9	[phreeqci] struct to class changes	2021-04-22 10:50:27 -06:00
Darth Vader	4cee19d768	Merge commit '2d8ca2d0f37d13ad67be582208a4e65edfcf702f'	2021-04-19 23:23:24 +00:00
Scott R Charlton	2d8ca2d0f3	[phreeqci] added 'new' debugging	2021-04-19 17:17:02 -06:00
Scott R Charlton	d0c821238d	[phreeqci] added 'new' debugging	2021-04-19 17:17:02 -06:00
David Parkhurst	9661feab0a	tokadd_heading leak	2021-04-12 10:02:27 -06:00
David Parkhurst	4565c5d894	catching upMerge remote-tracking branch 'origin/master' into classify	2021-04-10 16:04:38 -06:00
David Parkhurst	c22d792cb9	fix notab leak	2021-04-10 16:03:44 -06:00
Charlton, Scott R	6d2b45a8e1	Merge remote-tracking branch 'usgs-coupled/master'	2021-04-10 11:24:14 -06:00
David Parkhurst	38cfe18613	memory leak user_print, pitz/sit store, add uphill_NPa, remove TESTINT	2021-04-09 21:35:05 -06:00
Scott R Charlton	24f9bf72f0	removed TESTING definition	2021-04-08 11:24:03 -06:00
David Parkhurst	e2ce92882c	Tony agreed with change for all_cells, new test case	2021-04-08 08:09:17 -06:00
David Parkhurst	d2a5d63f30	reset all_cells in all cases	2021-04-07 20:51:08 -06:00
David Parkhurst	e3c0d61bc7	initialize aphi	2021-04-07 13:04:39 -06:00
Scott R Charlton	c960e059fb	builds on vs2005; still needs to initialize class pitz_param* aphi	2021-04-07 12:35:35 -06:00
David Parkhurst	71dc944c9d	cl1mp, bad initialization	2021-04-07 11:10:28 -06:00
David Parkhurst	2e5f255c79	fixed errors/warnings from ming and intel	2021-04-06 23:58:52 -06:00
David Parkhurst	369733e9b5	converted to classes	2021-04-06 22:21:54 -06:00
David Parkhurst	7961b1686b	release.txt, couple size_t	2021-04-06 09:18:25 -06:00
David Parkhurst	5d76f82542	copy operator works well enough	2021-04-06 00:20:52 -06:00
David Parkhurst	7ce8947041	updated InternalCopy for operator equal	2021-04-05 00:24:55 -06:00
David Parkhurst	7bd13ffafa	new/delete theta params, pitz_param_copy	2021-04-04 08:31:58 -06:00
David Parkhurst	50e8903ea4	new/delete pitz_params	2021-04-04 07:51:32 -06:00
David Parkhurst	87d67929c0	reverting changes to sit_params and theta_params. Will consider using new and delet	2021-04-03 22:26:30 -06:00
David Parkhurst	dcb9efe069	sit_params	2021-04-03 19:28:35 -06:00
David Parkhurst	ac3335ed16	theta_params	2021-04-03 18:36:45 -06:00
David Parkhurst	8878232018	delete rate, unused cptr	2021-04-03 17:15:19 -06:00
David Parkhurst	492df61dfc	descriptions	2021-04-03 12:04:24 -06:00
David Parkhurst	25e062100a	cell_data	2021-04-03 08:40:20 -06:00
David Parkhurst	051ddba22b	stag_data	2021-04-03 07:54:10 -06:00
David Parkhurst	33157a2011	fixed more size_t and initialized all structs	2021-04-02 23:55:59 -06:00
David Parkhurst	f86f430404	back to original set of files I think	2021-04-02 16:57:59 -06:00
David Parkhurst	af1b7616ae	removing CReaction and Classes files	2021-04-02 16:57:10 -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	7228bd0d1e	move struct rxn_token	2021-04-01 23:25:19 -06:00