max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 08:38:23 +01:00
Code Issues Packages Projects Releases Wiki Activity
1,367 Commits 6 Branches 4 Tags
Commit Graph

91 Commits

Author SHA1 Message Date
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
David Parkhurst
b86f79386a Beginning to test copy operator 2018-08-16 11:52:11 -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
114cea6744 minor memory leak in fail2 2018-03-16 17:41:34 -06:00