Alexander Hampel
|
fc2ce66238
|
corrections to additional h5 structure format
|
2020-11-24 16:03:32 -05:00 |
|
Alexander Hampel
|
1323ccbe65
|
fix for rst file
|
2020-08-04 10:58:04 +02:00 |
|
Alexander Hampel
|
378f743b09
|
Update for hdf5 structure reference
- added missing corr to inequiv information
- added a Vasp specific section and added missing information
|
2020-08-04 10:51:01 +02:00 |
|
aichhorn
|
a7cc27cab3
|
complete rewriting of interface/conversion
|
2015-08-13 15:27:50 +02:00 |
|
Priyanka Seth
|
d607f6c641
|
[doc] Precision on hk input file header
|
2015-05-18 14:01:32 +02:00 |
|
Priyanka Seth
|
8dc42b08ae
|
[doc] New documentation
* restructuring
* added user reference
* started working on user guide
* added schematic to structure
|
2015-04-21 14:31:15 +02:00 |
|
Priyanka Seth
|
7342e954dd
|
[doc] restructured the h5structure.rst file
|
2015-03-11 17:41:39 +01:00 |
|
Priyanka Seth
|
9f08ec1d80
|
[doc] updates
|
2015-03-11 14:35:28 +01:00 |
|
Priyanka Seth
|
4abd04bbee
|
Modified doc and hk_convert test
|
2015-02-10 16:27:12 +01:00 |
|
Priyanka Seth
|
ff6dd7ce73
|
[API] Changed form of shells and corr_shells to list of dicts.
|
2014-11-26 17:37:57 +01:00 |
|
Priyanka Seth
|
88f4105e5b
|
Renamed everything from 'lda' to 'dft'
|
2014-11-18 11:44:14 +01:00 |
|
Priyanka Seth
|
0bb1a45afb
|
Tidying up
|
2014-11-14 09:41:03 +01:00 |
|
Priyanka Seth
|
8bbbe81c7d
|
Converters clean up, new subgroup names
* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
|
2014-11-05 15:56:40 +01:00 |
|
aichhorn
|
8251d76553
|
First draft of reference manual
|
2014-10-28 09:38:06 +01:00 |
|