Manuel
|
a8c7569830
|
change del to with when reading hdf
|
2018-12-06 17:28:49 -05:00 |
|
Hiroshi Shinaoka
|
129ae1e068
|
Fixed bugs. The latest numpy accepts only an integer as an index.
|
2017-03-17 21:05:09 +09:00 |
|
aichhorn
|
c4b4620b36
|
Updated documentation of the hk converter
|
2016-08-29 10:27:33 +02:00 |
|
Priyanka Seth
|
390e8564b7
|
Minor clean up, pep-ified to allow doc compilation to run smoothly
|
2016-05-09 10:19:56 +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
|
3c6b3e3093
|
Fix typo in routine name convert_dmft_input
|
2014-12-09 12:26:00 +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
|
376d9b3693
|
Fix #23 : repack error, add path to hdf5
|
2014-11-19 18:50:53 +01:00 |
|
Priyanka Seth
|
84bd1ed655
|
Allow for hdf filename that differs from dft data basename
|
2014-11-19 16:38:52 +01:00 |
|
Priyanka Seth
|
88f4105e5b
|
Renamed everything from 'lda' to 'dft'
|
2014-11-18 11:44:14 +01:00 |
|
Priyanka Seth
|
518cbccd8c
|
Write shell equivalency information directly into h5 at conversion
* changed shellmap and invshellmap to corr_to_inequiv and inequiv_to_corr
* update_archive now calculates and stores these quantities for old archives
|
2014-11-16 18:03:53 +01:00 |
|
Priyanka Seth
|
a7f2a5096f
|
Move repeated converter functions in converter_tools.py
|
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 |
|
Priyanka Seth
|
9793daf86b
|
Change execs to setattr, getattr, etc
|
2014-11-05 15:56:33 +01:00 |
|
Priyanka Seth
|
906398894a
|
Changes to old interface files to comply with new gf_struct
Minor tidy-up too.
|
2014-09-22 19:27:27 +02:00 |
|
aichhorn
|
4fb1f67645
|
bugfixes in hk_converter
|
2014-04-03 14:34:36 +02:00 |
|
aichhorn
|
3f5ce764a7
|
Added more flexible H(k) reading
|
2014-04-02 18:36:48 +02:00 |
|
aichhorn
|
e10c48e106
|
Added first draft of general converter to handle general H(k)
Added also routine to rotate basis sets
|
2014-04-02 17:54:31 +02:00 |
|