ESS_GUIESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalc
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Last change
on this file since b14db78 was
0a6e097,
checked in by Piotr Rozyczko <rozyczko@…>, 8 years ago
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Unit tests for the GSC fixed, additional files uploaded
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-
Property mode set to
100755
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File size:
1.0 KB
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| Rev | Line | |
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| [0a6e097] | 1 | HEADER WRS dia A= 4.242640687
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| 2 | COMPND small diamomd
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| 3 | ATOM 1 C ??? 1 0.000 0.000 0.000
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| 4 | ATOM 2 C ??? 1 4.243 0.000 0.000
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| 5 | ATOM 3 C ??? 1 0.000 4.243 0.000
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| 6 | ATOM 4 C ??? 1 4.243 4.243 0.000
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| 7 | ATOM 5 C ??? 1 0.000 0.000 4.243
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| 8 | ATOM 6 C ??? 1 4.243 0.000 4.243
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| 9 | ATOM 7 C ??? 1 0.000 4.243 4.243
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| 10 | ATOM 8 C ??? 1 4.243 4.243 4.243
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| 11 | ATOM 9 C ??? 1 2.121 2.121 0.000
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| 12 | ATOM 10 C ??? 1 2.121 2.121 4.243
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| 13 | ATOM 11 C ??? 1 2.121 0.000 2.121
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| 14 | ATOM 12 C ??? 1 2.121 4.243 2.121
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| 15 | ATOM 13 C ??? 1 0.000 2.121 2.121
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| 16 | ATOM 14 C ??? 1 4.243 2.121 2.121
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| 17 | ATOM 15 C ??? 1 1.061 1.061 1.061
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| 18 | ATOM 16 C ??? 1 3.182 1.061 3.182
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| 19 | ATOM 17 C ??? 1 1.061 3.182 3.182
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| 20 | ATOM 18 C ??? 1 3.182 3.182 1.061
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