95 Commits

Author	SHA1	Message	Date
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
Scott R Charlton	63175ab743	[phreeqci] fixed header error with phast	2021-04-23 14:06:58 -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	5d76f82542	copy operator works well enough	2021-04-06 00:20:52 -06:00
David Parkhurst	33157a2011	fixed more size_t and initialized all structs	2021-04-02 23:55:59 -06:00
David Parkhurst	287f81cdea	elt_list vectorized	2021-04-02 12:23:30 -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	8685225486	fixed clang errors, needed .c_str	2021-03-30 08:39:43 -06:00
David Parkhurst	318e267cf7	(size_t) max and count	2021-03-29 21:15:00 -06:00
David Parkhurst	b5c7ba4a83	going to work on warnings	2021-03-29 14:48:51 -06:00
David Parkhurst	4c848b4e3d	all inverse structures vectorized. Starting on solver workspace	2021-03-29 11:41:43 -06:00
David Parkhurst	980d58ebdb	finished vectorizing struct inverse. Need to do sub structs	2021-03-29 09:22:09 -06:00
David Parkhurst	d13bb76408	removed count_elts	2021-03-28 23:06:13 -06:00
David Parkhurst	89ab28d76b	vector inverse elts	2021-03-28 20:56:22 -06:00
David Parkhurst	d575ade3eb	tidy.cpp, title_x	2021-03-27 16:23:42 -06:00
David Parkhurst	82a10d6e4f	revised get_elt and get_token	2021-03-27 14:00:45 -06:00
David Parkhurst	c748922b5e	added const qualifier for all the parsing	2021-03-26 15:16:04 -06:00
David Parkhurst	2b14f8090e	last_model	2021-03-24 11:20:03 -06:00
David Parkhurst	ee6fa5331f	bool analytic	2021-03-22 11:57:37 -06:00
David Parkhurst	cc614e642f	add_logk for logk, species, phases	2021-03-22 10:54:43 -06:00
David Parkhurst	c01c8d66bf	replace logk_hash_table with logk_map. Added str_tolower(std::string)	2021-03-21 21:09:05 -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	2f0f5e165d	Some replacements of .data() were incorrect	2021-03-18 12:04:12 -06:00
David Parkhurst	ba9813a43c	remove .data()	2021-03-18 08:37:34 -06:00
David Parkhurst	f136feb6ce	Merging origin/master. ... Merge remote-tracking branch 'origin/master' into warnings_redux	2021-03-17 15:04:52 -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	3d41ef8287	vector logk	2021-03-15 17:04:29 -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	f2c64fef86	vector elements	2021-03-15 12:12:46 -06:00
David Parkhurst	e8af689a39	vector isotope_alpha	2021-03-15 10:46:23 -06:00
David Parkhurst	ba2601a32f	vector isotope_ratio	2021-03-15 10:36:07 -06:00
David Parkhurst	4bb1c8006c	vector master_isotope	2021-03-15 10:12:21 -06:00
David Parkhurst	97e574d259	vector calculate_value**	2021-03-15 10:00:15 -06:00
David Parkhurst	a99253764f	(void)sscanf, removed SKIP, removed PHREEQ98	2021-03-12 18:11:29 -07:00
David Parkhurst	41e1112fb9	Last of changes for GetGasPhasePressures and GetGasPhasePhi, openmp and mpi. MPI fortrans not tested.	2021-02-27 22:26:48 -07:00
David Parkhurst	f1dda6c53b	Fixed problem with exchange-related when exchanger is defined as CaX2	2020-08-23 15:57:54 -06:00
David Parkhurst	20daad41c8	I guess cxxSurface::NO_EDL is correct	2020-08-18 15:21:08 -06:00
David Parkhurst	921ab106b8	Changed tidy_exchange_min and tidy_exchange_kin to tidy only for new_def and n_user >= 0. Fixed bug if surf_charge not defined for NO_EDL. Added test MoreExchMix	2020-08-13 23:11:21 -06:00
David Parkhurst	2aef60aa6f	Finished up surface and exchange related for cases where related phase or kinetic reaction was modified. Proportionality should now be maintained. Added test cases.	2020-08-11 09:30:32 -06:00
David Parkhurst	569e1e1377	Exchange related. Needed to update in case the related entity changed.	2020-08-10 14:34:06 -06:00
David Parkhurst	55ea163dd0	Implicit seems to be working with Tony's latest changes	2019-05-30 22:03:38 -06:00
David Parkhurst	600c7ee572	Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION	2019-05-06 15:22:52 -06:00