Charlton, Scott R
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f1fa927adf
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git subtree pull now squashes
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2021-10-31 18:20:51 +00:00 |
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Darth Vader
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f715edb589
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Merge commit '2243d25babbc524e7875b3d591bb6b91c4399a95'
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2021-09-29 23:26:01 +00:00 |
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Darth Vader
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2243d25bab
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Merge commit '013c822f76e5dc2e4fc19e87c6e5777aea6151d2'
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2021-09-27 18:22:25 +00:00 |
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Darth Vader
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f8b289df8e
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Merge commit 'c1af6f3585142e84fc40ec2c74914ef4a3b5da8b'
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2021-09-27 18:21:19 +00:00 |
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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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013c822f76
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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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d3bdd8b54a
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added newlines for CRAN
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2021-09-23 06:37:13 -07:00 |
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Darth Vader
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60ad724c7a
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Merge commit 'e4bd9bafb40c82bff5ef275528ca3dd2836672e5'
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2021-09-08 14:35:13 +00:00 |
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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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Darth Vader
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33f5157d8b
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Merge commit '29f06d269c189449f230e15761d01381cfd51de2'
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2021-08-31 13:52:37 +00:00 |
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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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Darth Vader
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ae41a1ffa6
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Merge commit '09a2680a6ec98cfd9d59e5b40b1594edfd6b4eff'
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2021-08-31 00:04:03 +00:00 |
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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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Darth Vader
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fd78a499d0
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Merge commit '8d7c1fce37a929778a2c34ee19c29933529f46bc'
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2021-08-27 16:05:15 +00:00 |
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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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Darth Vader
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47a8b4e3d8
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Merge commit '1040066da8c5dea10f0b29ece9e43082cd745fd8'
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2021-08-17 19:48:47 +00:00 |
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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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Charlton, Scott R
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d19961bf85
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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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Darth Vader
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d4dfe590eb
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Merge commit '07a864d1a6ed582ddfae5e1c3bf5b0620c3dd75c'
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2021-08-17 15:35:22 +00:00 |
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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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Darth Vader
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afff58ffb0
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Merge commit '48cb5e8969285f6d6e54955b6b7f8db76b2ec99f'
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2021-06-24 18:31:49 +00:00 |
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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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524bfc46cc
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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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26c71a359b
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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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c22cbb7bc7
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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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Darth Vader
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9b94f8be88
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Merge commit 'bea0ad10a02659d9964f6c88e0ca4e415a2c0aca'
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2021-05-28 18:21:02 +00:00 |
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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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Darth Vader
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37de8fa93c
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Merge commit 'eaf788b473321914e188d3afd7ff0df1500665fb'
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2021-05-12 13:54:31 +00:00 |
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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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Darth Vader
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5b7cf2f8f3
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Merge commit '2212f9ccb1ed55b463746d524ace70e78258d5bc'
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2021-05-10 22:50:17 +00:00 |
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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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Darth Vader
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2e334cb417
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Merge commit '79956e3d9ffcae4885bb46b893d01f311100dca1'
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2021-04-27 13:58:45 +00:00 |
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