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24 Commits 2 Branches 1 Tag 1.7 MiB
14a34e7902
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24 Commits

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Author SHA1 Message Date
Ravindra Shinde
14a34e7902 elements to the periodic table added; class expanded; american british taken care of 2021-02-25 10:06:23 +01:00
Ravindra Shinde
29b4f422dd periodic table started 2021-02-25 01:34:11 +01:00
Ravindra Shinde
344bd9b26d keywords list updated 2021-02-24 09:47:16 +01:00
Ravindra Shinde
3d304d79a2 reading the det file block 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
21d0f0459c sample output 2021-02-19 09:49:25 +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 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
Ravindra Shinde
f7f3bc4578 blocks improvised, external file supported 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
07e5166d14 config_fortran coordinates block pending 2021-02-12 13:50:28 +01:00
Ravindra Shinde
526cfc2162 reshuffle 2021-02-12 09:07:33 +01:00
Ravindra Shinde
15772e1855 lines commented for the time being 2021-02-12 09:03:10 +01:00
Ravindra Shinde
e7cd810448 untracked files added 2021-02-12 08:39:18 +01:00
Ravindra Shinde
f1545d3173 config fortran moved 2021-02-12 08:36:24 +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
Ravindra Shinde
6de5df2119 test program file added 2021-02-08 09:52:08 +01:00
Ravindra Shinde
bc4a93e049 initial template files for reading the input 2021-02-08 09:39:18 +01:00
Ravindra Shinde
c3e469ff5e Initial commit 2021-02-08 08:13:43 +01:00