Manuel Zingl
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1fbdf8bf38
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Fix for issue #32
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2015-03-03 18:43:50 +01:00 |
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Manuel Zingl
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a24c7869b1
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Corrects a bug in convert_misc_input
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2015-02-24 18:14:05 +01:00 |
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Manuel Zingl
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8db46b16b5
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Reading misc_input files only if present
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2015-02-20 15:15:17 +01:00 |
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Manuel Zingl
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373764f680
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Fix error in transport code, some modifications
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2015-02-18 00:27:00 +01:00 |
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Priyanka Seth
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674059506f
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Minor clean up.
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2015-02-10 16:35:12 +01:00 |
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Priyanka Seth
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54de186ebb
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Move oubwin, struct and outputs info into dft_misc_input
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2015-02-10 11:55:44 +01:00 |
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Manuel Zingl
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e0509ab741
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Fix for minor bug, changes in transport test
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2015-01-27 20:32:50 +01:00 |
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Priyanka Seth
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fc742ffa3d
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Fixed bug in convert_bands_input
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2015-01-22 14:15:29 +01:00 |
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Priyanka Seth
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c1ac9c85c8
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Unify notation in sumk_dft_tools.
You *may* need to run
"pytriqs update_archive.py filename.h5 v1.2"
to update the archive if you have dft_parproj_input is present.
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2015-01-22 10:47:53 +01:00 |
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Manuel Zingl
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4249d7d9d3
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Correction of a minor bug in transport code.
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2014-12-23 13:03:01 +01:00 |
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Manuel Zingl
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b3b199bf40
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Restore everything which was lost in rebase.
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2014-12-19 11:53:06 +01:00 |
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Priyanka Seth
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f24913b8a7
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[transport] more minor changes
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2014-12-18 18:23:00 +01:00 |
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Priyanka Seth
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6f1ffdfb86
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[transport] Preliminary tidiying up of transport converter
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2014-12-09 17:01:14 +01:00 |
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Manuel Zingl
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e1b8c4757b
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[transport] API changes
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2014-12-09 17:00:49 +01:00 |
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Manuel Zingl
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9283702fc1
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[transport] Change names, correct some issues in merge
Simplify writing/reading from h5
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2014-12-09 17:00:46 +01:00 |
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Manuel Zingl
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2ee744854e
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[transport] Divide transport into appropriate files
Put functions of the initial transport files to the appropriate places in
wien2k_converter and sumk_dft_tools
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2014-12-09 17:00:29 +01:00 |
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Priyanka Seth
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3c6b3e3093
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Fix typo in routine name convert_dmft_input
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2014-12-09 12:26:00 +01:00 |
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Priyanka Seth
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ff6dd7ce73
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[API] Changed form of shells and corr_shells to list of dicts.
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2014-11-26 17:37:57 +01:00 |
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Manuel Zingl
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acfd19fa87
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Add mpi import in converter_tools (related to issue #23)
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2014-11-20 14:25:07 +01:00 |
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Priyanka Seth
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376d9b3693
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Fix #23 : repack error, add path to hdf5
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2014-11-19 18:50:53 +01:00 |
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Priyanka Seth
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84bd1ed655
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Allow for hdf filename that differs from dft data basename
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2014-11-19 16:38:52 +01:00 |
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Priyanka Seth
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88f4105e5b
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Renamed everything from 'lda' to 'dft'
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2014-11-18 11:44:14 +01:00 |
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Priyanka Seth
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518cbccd8c
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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
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2014-11-16 18:03:53 +01:00 |
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Priyanka Seth
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b672839f83
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Tidy up of symmetry
*changed map -> orb_map in symmetry to avoid using python keyword
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2014-11-16 18:03:53 +01:00 |
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Priyanka Seth
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a7f2a5096f
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Move repeated converter functions in converter_tools.py
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2014-11-14 09:41:03 +01:00 |
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Priyanka Seth
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8bbbe81c7d
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Converters clean up, new subgroup names
* Provided script update_archive.py to convert old h5 archives.
* Fixed all tests
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2014-11-05 15:56:40 +01:00 |
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Priyanka Seth
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9793daf86b
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Change execs to setattr, getattr, etc
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2014-11-05 15:56:33 +01:00 |
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Priyanka Seth
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906398894a
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Changes to old interface files to comply with new gf_struct
Minor tidy-up too.
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2014-09-22 19:27:27 +02:00 |
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Olivier Parcollet
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0e585ad9b4
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First import. triqs 1.0 alpha1
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2013-07-23 20:55:29 +02:00 |
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