David Parkhurst
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5431417de7
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noted changes for Peng-Robinson gases and Pitzer
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2021-07-30 18:21:01 -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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20e6e440f0
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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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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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6ea9caf0f2
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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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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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c1c97a8592
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before H2S
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2021-07-06 17:30:19 -06:00 |
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David Parkhurst
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a7be9fcfed
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Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g)
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2021-07-06 15:12:57 -06:00 |
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Darth Vader
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90c958c7a4
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Merge commit 'afff58ffb022065fab2fe9b960633f0b86e2066b'
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2021-06-24 18:32:58 +00:00 |
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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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Darth Vader
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339e7f14a9
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Merge commit '2aee1d68f8eadc2596d3cc1c7cd1cb6a8f303557'
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2021-06-24 18:31:19 +00:00 |
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David Parkhurst
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2aee1d68f8
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updated RELEASE.TXT
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2021-06-14 11:25:11 -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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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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a3d35b638d
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Update RELEASE.TXT, add + in solution definition
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2021-06-03 13:08:52 -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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a51e5e1ce9
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Merge commit 'd469c0d9e090c82962054fd4db0a5107a4b2714b'
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2021-05-28 21:33:30 +00:00 |
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Darth Vader
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78c35d51cf
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Merge commit '9b94f8be88ba1d2b73948f2ddb790fd976fe8e0a'
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2021-05-28 18:22:16 +00:00 |
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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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Darth Vader
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09732ae31b
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Merge commit 'b40b25fd2362701c6536fb2c135da0e3420bd578'
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2021-05-28 18:20:17 +00:00 |
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David Parkhurst
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d469c0d9e0
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latest change Fe(+3) in RELEASE.TXT
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2021-05-28 09:33:44 -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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Darth Vader
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476a097407
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Merge commit '37de8fa93ce958aeed5e61f6b3b3e507f059257e'
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2021-05-12 13:56:26 +00:00 |
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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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Darth Vader
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dc01965b3e
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Merge commit '4656bd0064b142fb5f4896bb5bbe815903ee5abd'
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2021-05-12 13:49:42 +00:00 |
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David Parkhurst
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b40b25fd23
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Another SIT database
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2021-05-11 09:45:15 -06:00 |
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David Parkhurst
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4656bd0064
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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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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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cc88c631ba
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Merge commit '5b7cf2f8f32d1df2855a34f51102876527236915'
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2021-05-10 22:50:57 +00:00 |
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Darth Vader
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0e3b9ea178
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Merge commit '6251be94920311e0c8ac9cddf79b680866b845b7'
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2021-05-10 22:50:56 +00:00 |
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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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6251be9492
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updated RELEASE
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2021-05-10 13:43:53 -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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Charlton, Scott R
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af20075233
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fixed clr testing
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2021-05-05 14:17:00 -06:00 |
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Charlton, Scott R
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fbddcf3789
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fixed CLR builds
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2021-05-04 15:24:36 -06:00 |
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Charlton, Scott R
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dd82622052
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removed continue-on-error
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2021-05-04 13:22:35 -06:00 |
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