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