Charlton, Scott R
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c1af6f3585
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added newlines for CRAN
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2021-09-23 06:37:13 -07:00 |
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Charlton, Scott R
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e4bd9bafb4
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[phreeqc3] fixes -Wclass-memaccess warnings for CRAN
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2021-09-07 19:30:34 -07:00 |
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Charlton, Scott R
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29f06d269c
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fixed alignment in Description of solution
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2021-08-31 07:47:49 -06:00 |
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Charlton, Scott R
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09a2680a6e
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guarded write_banner with NO_UTF8_ENCODING
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2021-08-30 17:46:49 -06:00 |
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Charlton, Scott R
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082edbb51d
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changed src/print.cpp back to windows-1252 encoding; updated check_utf.sh
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2021-08-30 17:36:40 -06:00 |
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David Parkhurst
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8d7c1fce37
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adding mcd_Jtot and mcd_Jconc
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2021-08-25 20:22:42 -06:00 |
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David Parkhurst
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9f0f6225cc
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Merge branch 'master' of github.com:usgs-coupled/phreeqc3
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2021-08-25 20:16:20 -06:00 |
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Charlton, Scott R
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1040066da8
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Merge remote-tracking branch 'usgs-coupled/master'
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2021-08-17 13:44:03 -06:00 |
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David Parkhurst
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2a9464430b
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cleaned up to eliminate some prints
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2021-08-05 15:34:57 -06:00 |
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David Parkhurst
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07a864d1a6
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all jacobians are consistent. Looks pretty good.
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2021-07-17 12:21:02 -06:00 |
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David Parkhurst
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56975a7e0c
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Saved surface for numerical derivatives
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2021-07-17 08:49:17 -06:00 |
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David Parkhurst
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df0d68b9d5
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Runs all the test cases. Numerical derivatives work, but still some changes in residuals before and after jacobian calculations.
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2021-07-16 22:27:03 -06:00 |
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David Parkhurst
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6bd936e0d7
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Fixed numerical derivative (non-pitzer)
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2021-07-15 20:37:58 -06:00 |
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David Parkhurst
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0dde2b010f
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removed comments
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2021-07-15 11:44:28 -06:00 |
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David Parkhurst
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aef51fa3e6
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Finally have derivatives right, I think
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2021-07-15 11:38:17 -06:00 |
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David Parkhurst
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20281a0e7a
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always reset gases
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2021-07-14 13:53:28 -06:00 |
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David Parkhurst
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13ec2fcd3e
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best I could do for H2S while maintaining old tests. Used INCREMENTAL reactions
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2021-07-13 14:24:00 -06:00 |
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David Parkhurst
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8be1ba8327
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revised jacobian_pz with new logic. Works with fixed_pressure examples H2S, H2S_pz, H2S_pz_appt, H2S_NaCl_Na2SO4.
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2021-07-10 16:37:37 -06:00 |
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David Parkhurst
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71cf2a97b7
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still produces different residuals
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2021-07-07 23:55:03 -06:00 |
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David Parkhurst
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9022ded877
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Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases
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2021-07-06 21:52:06 -06:00 |
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David Parkhurst
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cb1f9afc17
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Finished up C, Fortran, documentation. Need to check DOxygen
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2021-06-14 09:38:48 -06:00 |
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David Parkhurst
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9dad4471c2
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Merge remote-tracking branch 'origin/master' into state
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2021-06-13 07:37:50 -06:00 |
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David Parkhurst
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d647eec2ef
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Added StateSave, StateApply, StateDelete with documentation for C++. Need testing, Fortran, and C
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2021-06-13 07:37:41 -06:00 |
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David Parkhurst
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48cb5e8969
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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.
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2021-06-10 17:21:08 -06:00 |
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David Parkhurst
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47e1ce5dfb
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added OH in density iteration calculation, test case NaOH_density
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2021-06-07 16:23:20 -06:00 |
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David Parkhurst
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4aefb0660a
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allow Fe(+3), equivalent to Fe(3), in TOT and TOTMOL. Previously fixed in SELECTED_OUTPUT -total
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2021-06-03 13:04:35 -06:00 |
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David Parkhurst
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bea0ad10a0
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unused variable, punch Fe(+3)
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2021-05-28 09:03:14 -06:00 |
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David Parkhurst
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eaf788b473
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fixed add_constant, undefined surface null pointer, added test cases
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2021-05-10 17:37:13 -06:00 |
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David Parkhurst
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2212f9ccb1
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fixed bug in reprep when sit had surface species. Added capability of sit + edl, have not tested it
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2021-05-10 13:36:52 -06:00 |
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David Parkhurst
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79956e3d9f
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made tally_table a vector of class tally
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2021-04-26 23:38:21 -06:00 |
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Darth Vader
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58b0d1fccf
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Merge commit 'd77c11ec700085f19b76af6543013e23ee0739d3'
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2021-04-23 20:14:07 +00:00 |
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Scott R Charlton
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63175ab743
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[phreeqci] fixed header error with phast
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2021-04-23 14:06:58 -06:00 |
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Scott R Charlton
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d77c11ec70
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[phreeqci] fixed header error with phast
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2021-04-23 14:06:58 -06:00 |
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Scott R Charlton
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0feb71507f
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[phreeqci] fixed WINDOWS.H already included error on windows builds
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2021-04-22 14:11:23 -06:00 |
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Scott R Charlton
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123cc8a5f5
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[phreeqci] fixed _ASSERTE error on linux builds
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2021-04-22 12:00:09 -06:00 |
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Scott R Charlton
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22c4a624a9
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[phreeqci] struct to class changes
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2021-04-22 10:50:27 -06:00 |
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Darth Vader
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4cee19d768
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Merge commit '2d8ca2d0f37d13ad67be582208a4e65edfcf702f'
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2021-04-19 23:23:24 +00:00 |
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Scott R Charlton
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2d8ca2d0f3
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[phreeqci] added 'new' debugging
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2021-04-19 17:17:02 -06:00 |
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Scott R Charlton
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d0c821238d
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[phreeqci] added 'new' debugging
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2021-04-19 17:17:02 -06:00 |
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David Parkhurst
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9661feab0a
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tokadd_heading leak
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2021-04-12 10:02:27 -06:00 |
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David Parkhurst
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4565c5d894
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catching upMerge remote-tracking branch 'origin/master' into classify
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2021-04-10 16:04:38 -06:00 |
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David Parkhurst
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c22d792cb9
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fix notab leak
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2021-04-10 16:03:44 -06:00 |
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Charlton, Scott R
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6d2b45a8e1
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Merge remote-tracking branch 'usgs-coupled/master'
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2021-04-10 11:24:14 -06:00 |
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David Parkhurst
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38cfe18613
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memory leak user_print, pitz/sit store, add uphill_NPa, remove TESTINT
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2021-04-09 21:35:05 -06:00 |
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Scott R Charlton
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24f9bf72f0
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removed TESTING definition
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2021-04-08 11:24:03 -06:00 |
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David Parkhurst
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e2ce92882c
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Tony agreed with change for all_cells, new test case
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2021-04-08 08:09:17 -06:00 |
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David Parkhurst
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d2a5d63f30
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reset all_cells in all cases
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2021-04-07 20:51:08 -06:00 |
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David Parkhurst
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e3c0d61bc7
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initialize aphi
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2021-04-07 13:04:39 -06:00 |
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Scott R Charlton
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c960e059fb
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builds on vs2005; still needs to initialize class pitz_param* aphi
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2021-04-07 12:35:35 -06:00 |
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David Parkhurst
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71dc944c9d
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cl1mp, bad initialization
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2021-04-07 11:10:28 -06:00 |
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