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Commit Graph

  • 5b9bc492e8
         minor changes to webpage gh-pages Ravindra Shinde 2022-06-09 09:44:28 +0200
  • 98680b1fe0
         creating github page Ravindra Shinde 2022-06-09 09:38:33 +0200
  • c075c86acb
         Set theme jekyll-theme-cayman Ravindra Shinde 2022-06-09 09:37:05 +0200
  • e4b9948732
         Update build_fparser.yml minimal Ravindra Shinde 2021-06-11 14:34:19 +0200
  • c5bfce3eea
         Update README.md Ravindra Shinde 2021-04-02 11:41:00 +0200
  • f69072c18e
         workflow badge added Ravindra Shinde 2021-04-02 11:40:03 +0200
  • 1ad3371c66
         creating github actions Ravindra Shinde 2021-04-02 11:14:45 +0200
  • c14195c46a
         badges completed except CI/CD Ravindra Shinde 2021-04-01 14:32:33 +0200
  • 17440cdde4
         badges updated V1.0.0 Ravindra Shinde 2021-04-01 13:12:59 +0200
  • 946844a1a7
         shields added Ravindra Shinde 2021-04-01 11:37:14 +0200
  • 66a609dc8b
         comment added Ravindra Shinde 2021-03-30 16:18:35 +0200
  • ce9c1c3938
         minor update Ravindra Shinde 2021-03-30 16:17:04 +0200
  • ad4af797fb default value info added Ravindra Shinde 2021-03-26 09:15:13 +0100
  • 35d20783f2 broken build script fixed Ravindra Shinde 2021-03-26 07:06:36 +0100
  • dd0eb38747 pushing the libfdf Ravindra Shinde 2021-03-26 06:54:40 +0100
  • f746c0335f cleanup and push Ravindra Shinde 2021-03-26 06:41:58 +0100
  • b9dd45ce09 cleanup and push Ravindra Shinde 2021-03-26 06:40:19 +0100
  • eb771bc0f6 touch up Ravindra Shinde 2021-03-26 06:17:26 +0100
  • 7241cbe670 cleanup Ravindra Shinde 2021-03-26 06:13:07 +0100
  • 930e7102a7 merging the libfdf Ravindra Shinde 2021-03-26 04:07:08 +0100
  • 31dd42e876 cleanup Ravindra Shinde 2021-03-26 03:40:13 +0100
  • a147bbeff9 pretty print Ravindra Shinde 2021-03-26 01:45:43 +0100
  • b241e85a0a more cleanup of files Ravindra Shinde 2021-03-26 00:48:53 +0100
  • c541ebbf02 distclean Ravindra Shinde 2021-03-25 22:55:01 +0100
  • efb74ed4a5 markdown being fixed Ravindra Shinde 2021-03-25 22:46:30 +0100
  • b464cc6487 read me included Ravindra Shinde 2021-03-25 18:09:43 +0100
  • c63e9bdb18 license added Ravindra Shinde 2021-03-25 18:03:08 +0100
  • b3434d6a34 more cleanup Ravindra Shinde 2021-03-25 17:56:48 +0100
  • 5edd886ef0 removing old files Ravindra Shinde 2021-03-25 16:40:30 +0100
  • 80445c3f67 submodules created Ravindra Shinde 2021-03-25 16:35:12 +0100
  • 69496b3bb6 clean up Ravindra Shinde 2021-03-25 16:33:48 +0100
  • 255096fc3b creating minimal example Ravindra Shinde 2021-03-25 14:21:38 +0100
  • f45ab6db3d trial commit for main Ravindra Shinde 2021-03-25 13:31:05 +0100
  • 155526d1f0 creating minimal example for the demonstration Ravindra Shinde 2021-03-25 12:31:06 +0100
  • 195b4b89a5 pushing unfinished commits Ravindra Shinde 2021-03-25 10:05:51 +0100
  • cae507dbdf module structure bugs removed Ravindra Shinde 2021-03-08 13:09:02 +0100
  • 9e5e51d3df explicit data read from the block Ravindra Shinde 2021-03-08 10:29:30 +0100
  • b69b89d558 uploading trial_output for demonstration Ravindra Shinde 2021-03-05 08:45:35 +0100
  • de3a5cfbff more failsafe procedures Ravindra Shinde 2021-03-04 14:22:26 +0100
  • d6cb6538e7 failsafe mechanism added; new keywords added; beginning of the inline blocks Ravindra Shinde 2021-03-04 12:14:57 +0100
  • bfc4e951b7 molecule now has 4 different representations Ravindra Shinde 2021-03-03 16:33:15 +0100
  • 61f7711ffd determinant file read successfully Ravindra Shinde 2021-03-03 15:53:47 +0100
  • ff575f7a93 external filenames read from the files Ravindra Shinde 2021-03-03 12:00:32 +0100
  • 875abede88 trial output Ravindra Shinde 2021-02-25 15:45:19 +0100
  • c4aca92a66 coords block should be updated with derived atom type Ravindra Shinde 2021-02-25 15:12:35 +0100
  • d5d2dd3c4a some cleanup, more keywords added, input file shortened Ravindra Shinde 2021-02-25 14:57:29 +0100
  • 0321cdfdfe input files being modified Ravindra Shinde 2021-02-25 12:41:14 +0100
  • ddc5b4ac49 keywords list updated; issues with allocatable pointes to be solved Ravindra Shinde 2021-02-25 11:16:21 +0100
  • 14a34e7902 elements to the periodic table added; class expanded; american british taken care of Ravindra Shinde 2021-02-25 10:06:23 +0100
  • 29b4f422dd periodic table started Ravindra Shinde 2021-02-25 01:34:11 +0100
  • 344bd9b26d keywords list updated Ravindra Shinde 2021-02-24 09:47:16 +0100
  • 3d304d79a2 reading the det file block Ravindra Shinde 2021-02-23 22:44:22 +0100
  • 86c224105b commiting output files also Ravindra Shinde 2021-02-23 10:43:38 +0100
  • 21d0f0459c sample output Ravindra Shinde 2021-02-19 09:49:25 +0100
  • 3c64728501 lists int and floats working within limits Ravindra Shinde 2021-02-19 02:05:50 +0100
  • 44f8276ff6 %include functionality added Ravindra Shinde 2021-02-19 00:33:15 +0100
  • 1f6b634d06 xyz file comment line ignored Ravindra Shinde 2021-02-18 23:21:04 +0100
  • f393df0756 minor Ravindra Shinde 2021-02-18 13:38:59 -0800
  • f7f3bc4578 blocks improvised, external file supported Ravindra Shinde 2021-02-18 12:38:16 -0800
  • 6b45f93c87 external coordinate file reading successful Ravindra Shinde 2021-02-18 11:27:37 +0100
  • dafa315545 inline reading of molecule coordinates works Ravindra Shinde 2021-02-18 11:01:41 +0100
  • 07e5166d14 config_fortran coordinates block pending Ravindra Shinde 2021-02-12 13:50:28 +0100
  • 526cfc2162 reshuffle Ravindra Shinde 2021-02-12 09:07:33 +0100
  • 15772e1855 lines commented for the time being Ravindra Shinde 2021-02-12 09:03:10 +0100
  • e7cd810448 untracked files added Ravindra Shinde 2021-02-12 08:39:18 +0100
  • f1545d3173 config fortran moved Ravindra Shinde 2021-02-12 08:36:24 +0100
  • 562bacb8a5 cofig fortran edited to incorporate changes Ravindra Shinde 2021-02-11 21:59:19 +0100
  • 8e4a092b2e coordinates block read properly Ravindra Shinde 2021-02-10 00:29:00 +0100
  • bcb87047b8 libfdf parser :: integer, floats, strings and logical variables read properly Ravindra Shinde 2021-02-09 22:33:39 +0100
  • 6de5df2119 test program file added Ravindra Shinde 2021-02-08 09:52:08 +0100
  • bc4a93e049 initial template files for reading the input Ravindra Shinde 2021-02-08 09:39:18 +0100
  • c3e469ff5e Initial commit Ravindra Shinde 2021-02-08 08:13:43 +0100