331 Commits

Author	SHA1	Message	Date
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
Scott R Charlton	22c4a624a9	[phreeqci] struct to class changes	2021-04-22 10:50:27 -06:00
Scott R Charlton	d0c821238d	[phreeqci] added 'new' debugging	2021-04-19 17:17:02 -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	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	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	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	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	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	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	9fd3f2a26a	save_values rewritten with map	2021-03-30 23:48:37 -06:00
David Parkhurst	1547d91bf4	finished up spread	2021-03-29 18:44:24 -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	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	d7e3be4c20	cleaned up some string_duplicate	2021-03-27 09:52:31 -06:00
David Parkhurst	157a458446	description_x	2021-03-26 22:30:28 -06:00
David Parkhurst	51fec19379	class_main	2021-03-26 21:21:20 -06:00
David Parkhurst	c748922b5e	added const qualifier for all the parsing	2021-03-26 15:16:04 -06:00
David Parkhurst	380a6eaf06	methods set to const, variables need to follow	2021-03-26 11:10:09 -06:00
David Parkhurst	6d67e22e0c	copier and dash	2021-03-25 09:06:29 -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	6907bb06c4	base, sit arrays	2021-03-24 08:31:54 -06:00
David Parkhurst	90e8412074	starting on pitzer	2021-03-23 23:17:46 -06:00
David Parkhurst	bd0cad9434	vector kinetics arrays	2021-03-23 22:04:45 -06:00
David Parkhurst	1850c32c93	basic commands are now std::string	2021-03-23 21:12:46 -06:00
David Parkhurst	d82d5d610f	vector llnl parameters, removed hash references	2021-03-23 19:24:09 -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	67447c5a7b	Removed hashtable, all hashes have been replaced with maps.	2021-03-22 00:01:03 -06:00
David Parkhurst	ee7d2c579f	replaced hash for isotope_ratio, isotope_alpha, calculate_value with maps. Fixed some case errors with new maps.	2021-03-21 23:19:23 -06:00
David Parkhurst	52e0622596	replase master_isotope_hash_table with master_isotope_map	2021-03-21 21:42:49 -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