Ravindra Shinde
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d6cb6538e7
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failsafe mechanism added; new keywords added; beginning of the inline blocks
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2021-03-04 12:14:57 +01:00 |
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Ravindra Shinde
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bfc4e951b7
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molecule now has 4 different representations
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2021-03-03 16:33:15 +01:00 |
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Ravindra Shinde
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61f7711ffd
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determinant file read successfully
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2021-03-03 15:53:47 +01:00 |
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Ravindra Shinde
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ff575f7a93
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external filenames read from the files
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2021-03-03 12:00:32 +01:00 |
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Ravindra Shinde
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c4aca92a66
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coords block should be updated with derived atom type
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2021-02-25 15:12:35 +01:00 |
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Ravindra Shinde
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d5d2dd3c4a
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some cleanup, more keywords added, input file shortened
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2021-02-25 14:57:29 +01:00 |
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Ravindra Shinde
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0321cdfdfe
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input files being modified
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2021-02-25 12:41:14 +01:00 |
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Ravindra Shinde
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344bd9b26d
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keywords list updated
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2021-02-24 09:47:16 +01:00 |
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Ravindra Shinde
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3d304d79a2
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reading the det file block
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2021-02-23 22:44:22 +01:00 |
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Ravindra Shinde
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86c224105b
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commiting output files also
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2021-02-23 10:43:38 +01:00 |
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Ravindra Shinde
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3c64728501
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lists int and floats working within limits
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2021-02-19 02:05:50 +01:00 |
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Ravindra Shinde
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44f8276ff6
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%include functionality added
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2021-02-19 00:33:15 +01:00 |
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Ravindra Shinde
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1f6b634d06
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xyz file comment line ignored
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2021-02-18 23:21:04 +01:00 |
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Ravindra Shinde
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f393df0756
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minor
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2021-02-18 13:38:59 -08:00 |
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Ravindra Shinde
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f7f3bc4578
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blocks improvised, external file supported
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2021-02-18 12:38:16 -08:00 |
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Ravindra Shinde
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6b45f93c87
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external coordinate file reading successful
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2021-02-18 11:27:37 +01:00 |
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Ravindra Shinde
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dafa315545
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inline reading of molecule coordinates works
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2021-02-18 11:01:41 +01:00 |
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Ravindra Shinde
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562bacb8a5
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cofig fortran edited to incorporate changes
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2021-02-11 21:59:19 +01:00 |
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Ravindra Shinde
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8e4a092b2e
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coordinates block read properly
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2021-02-10 00:29:00 +01:00 |
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Ravindra Shinde
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bcb87047b8
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libfdf parser :: integer, floats, strings and logical variables read properly
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2021-02-09 22:33:39 +01:00 |
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