Darth Vader
|
893faff974
|
Merge commit 'd4dfe590eb539c35219174adf5314480eebdf7f8'
|
2021-08-17 15:36:31 +00:00 |
|
Darth Vader
|
d4dfe590eb
|
Merge commit '07a864d1a6ed582ddfae5e1c3bf5b0620c3dd75c'
|
2021-08-17 15:35:22 +00:00 |
|
David Parkhurst
|
07a864d1a6
|
all jacobians are consistent. Looks pretty good.
|
2021-07-17 12:21:02 -06:00 |
|
David Parkhurst
|
56975a7e0c
|
Saved surface for numerical derivatives
|
2021-07-17 08:49:17 -06:00 |
|
David Parkhurst
|
df0d68b9d5
|
Runs all the test cases. Numerical derivatives work, but still some changes in residuals before and after jacobian calculations.
|
2021-07-16 22:27:03 -06:00 |
|
David Parkhurst
|
6bd936e0d7
|
Fixed numerical derivative (non-pitzer)
|
2021-07-15 20:37:58 -06:00 |
|
David Parkhurst
|
0dde2b010f
|
removed comments
|
2021-07-15 11:44:28 -06:00 |
|
David Parkhurst
|
aef51fa3e6
|
Finally have derivatives right, I think
|
2021-07-15 11:38:17 -06:00 |
|
David Parkhurst
|
20281a0e7a
|
always reset gases
|
2021-07-14 13:53:28 -06:00 |
|
David Parkhurst
|
13ec2fcd3e
|
best I could do for H2S while maintaining old tests. Used INCREMENTAL reactions
|
2021-07-13 14:24:00 -06:00 |
|
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 |
|
Darth Vader
|
48f9f227b5
|
Merge commit 'afff58ffb022065fab2fe9b960633f0b86e2066b'
|
2021-06-24 18:32:58 +00:00 |
|
Darth Vader
|
afff58ffb0
|
Merge commit '48cb5e8969285f6d6e54955b6b7f8db76b2ec99f'
|
2021-06-24 18:31:49 +00:00 |
|
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 |
|
Darth Vader
|
8e7f7de5af
|
Merge commit '9b94f8be88ba1d2b73948f2ddb790fd976fe8e0a'
|
2021-05-28 18:22:16 +00:00 |
|
Darth Vader
|
9b94f8be88
|
Merge commit 'bea0ad10a02659d9964f6c88e0ca4e415a2c0aca'
|
2021-05-28 18:21:02 +00:00 |
|
David Parkhurst
|
bea0ad10a0
|
unused variable, punch Fe(+3)
|
2021-05-28 09:03:14 -06:00 |
|
Darth Vader
|
510744efa1
|
Merge commit '37de8fa93ce958aeed5e61f6b3b3e507f059257e'
|
2021-05-12 13:56:26 +00:00 |
|
Darth Vader
|
37de8fa93c
|
Merge commit 'eaf788b473321914e188d3afd7ff0df1500665fb'
|
2021-05-12 13:54:31 +00:00 |
|
David Parkhurst
|
eaf788b473
|
fixed add_constant, undefined surface null pointer, added test cases
|
2021-05-10 17:37:13 -06:00 |
|
Darth Vader
|
cbc40fac6f
|
Merge commit '5b7cf2f8f32d1df2855a34f51102876527236915'
|
2021-05-10 22:50:57 +00:00 |
|
Darth Vader
|
5b7cf2f8f3
|
Merge commit '2212f9ccb1ed55b463746d524ace70e78258d5bc'
|
2021-05-10 22:50:17 +00:00 |
|
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 |
|
Darth Vader
|
a68b8821e3
|
Merge commit '2e334cb417d144fb082c88cfcf5661ffa0cfacb8'
|
2021-04-27 14:00:27 +00:00 |
|
Darth Vader
|
2e334cb417
|
Merge commit '79956e3d9ffcae4885bb46b893d01f311100dca1'
|
2021-04-27 13:58:45 +00:00 |
|
David Parkhurst
|
79956e3d9f
|
made tally_table a vector of class tally
|
2021-04-26 23:38:21 -06:00 |
|
David Parkhurst
|
eebc11b325
|
made tally_table a vector of class tally
|
2021-04-26 23:38:21 -06:00 |
|
David Parkhurst
|
7a2f8916aa
|
made tally_table a vector of class tally
|
2021-04-26 23:38:21 -06:00 |
|
Darth Vader
|
f3e27fcb90
|
Merge commit 'aa62814aa6731a0b093267ec2d361d4837fa3ba9'
|
2021-04-23 20:15:50 +00:00 |
|
Darth Vader
|
aa62814aa6
|
Merge commit '58b0d1fccfc6763e569bee30f4ab5e4122963ede'
|
2021-04-23 20:14:47 +00:00 |
|
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 |
|
Darth Vader
|
b8563691d2
|
Merge commit '2efc74230a9105f21920ee93317781e1c56e34d1'
|
2021-04-22 21:39:02 +00:00 |
|
Darth Vader
|
2efc74230a
|
Merge commit '0feb71507f3a246e8021a2c4781ab6c814c73e71'
|
2021-04-22 21:37:59 +00:00 |
|
Scott R Charlton
|
0feb71507f
|
[phreeqci] fixed WINDOWS.H already included error on windows builds
|
2021-04-22 14:11:23 -06:00 |
|
Darth Vader
|
749cf8f4eb
|
Merge commit '4ae649449235703be5a460fae083169e1d7a10e8'
|
2021-04-22 18:07:58 +00:00 |
|
Darth Vader
|
4ae6494492
|
Merge commit '123cc8a5f5b095cfebea092a1e49a8872fc676d4'
|
2021-04-22 18:07:25 +00:00 |
|
Scott R Charlton
|
123cc8a5f5
|
[phreeqci] fixed _ASSERTE error on linux builds
|
2021-04-22 12:00:09 -06:00 |
|
Darth Vader
|
1371228faf
|
Merge commit '4a848dccec5e555fd493c1565b6cc1e0707caf05'
|
2021-04-22 16:58:51 +00:00 |
|
Darth Vader
|
4a848dccec
|
Merge commit '22c4a624a98244cf2706842b9d989e0edc3b91e2'
|
2021-04-22 16:58:09 +00:00 |
|
Scott R Charlton
|
22c4a624a9
|
[phreeqci] struct to class changes
|
2021-04-22 10:50:27 -06:00 |
|
Darth Vader
|
71ed896aac
|
Merge commit '8080cbce1e8b54fa33d4e86c2f10f8e443419bd9'
|
2021-04-19 23:24:17 +00:00 |
|
Darth Vader
|
8080cbce1e
|
Merge commit '4cee19d768863d8f09b3629ee36a11e1a6030f33'
|
2021-04-19 23:23:32 +00:00 |
|
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 |
|