Daniel Otto de Mentock
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dd82c3c8f0
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rewrote table module adjustments to not make use of _io module
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2022-01-14 15:08:40 +01:00 |
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Daniel Otto de Mentock
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db21e82fe3
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adjusted data.column retrieval in save method
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2022-01-13 17:15:54 +01:00 |
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Daniel Otto de Mentock
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b4088b666e
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adjusted filehandle conditional type
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2022-01-13 13:27:50 +01:00 |
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Daniel Otto de Mentock
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ffa80f6bef
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added typehints for table module
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2022-01-12 17:10:13 +01:00 |
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Sharan Roongta
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edb7834404
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typo
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2021-05-20 10:30:00 +02:00 |
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Martin Diehl
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3977e230b3
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documenting and ensuring consistent argument names
'name' for a dataset matches the analogy to a file name
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2021-04-24 14:47:45 +02:00 |
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Martin Diehl
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4d67c85a33
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clarify out-of-place behavior and document return values
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2021-04-23 23:32:09 +02:00 |
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Martin Diehl
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9db1ef9ed7
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polishing
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2021-04-05 13:41:49 +02:00 |
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Martin Diehl
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c1f7ea750b
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legacy access not needed anymore
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2021-04-01 06:55:47 +02:00 |
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Martin Diehl
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8a3af87e3e
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Merge remote-tracking branch 'origin/development' into spring-cleaning
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2021-04-01 00:09:51 +02:00 |
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Philip Eisenlohr
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07c9cf5f1a
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- improved reporting and slicing of table.
- implemented numpy-like `allclose` and `isclose`
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2021-03-31 18:30:07 +00:00 |
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Martin Diehl
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a3ab890315
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bugfix for ConfigMaterial
don't use mutable variables in python initializers, they get updated
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2021-03-28 11:35:40 +02:00 |
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Martin Diehl
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be9e00347b
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cleaning
dropped support for legacy table
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2021-03-27 10:11:31 +01:00 |
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Philip Eisenlohr
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4208c4e713
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adapted to Table.add being out-of-place
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2021-03-08 11:04:49 -05:00 |
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Philip Eisenlohr
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7cbc69a4ca
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added "Returns" to help
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2021-03-08 11:02:27 -05:00 |
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Martin Diehl
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4e31862f0f
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avoid repetition
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2021-02-10 18:35:13 +01:00 |
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Martin Diehl
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6895ef6b18
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always write LF line endings
small pitfall: I windows users use a filehandle that results from a call
to open() without the newline option, they get still CRLF line endings
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2021-02-10 10:03:35 +01:00 |
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Martin Diehl
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35ca1ffb0a
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consistent copy functionality
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2021-01-03 12:03:40 +01:00 |
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Martin Diehl
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aad123f41b
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Merge branch 'table-getitem' into development
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2020-12-12 19:58:42 +01:00 |
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Philip Eisenlohr
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36e4042f0b
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removed "where" method from Table class
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2020-12-11 19:31:19 -05:00 |
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Martin Diehl
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ac0a20696c
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rename: grid -> cells
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2020-12-03 22:16:34 +01:00 |
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Philip Eisenlohr
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4877334986
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added getitem and where functionality to Table
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2020-12-02 19:25:54 -05:00 |
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Martin Diehl
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e15678e7a4
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consistent handling of comments
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2020-11-12 21:31:09 +01:00 |
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Martin Diehl
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5926f84851
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WIP: refactoring Orientation=Symmetry+Rotation, Lattice=subclass of Sym, and Crystal=Lattice+Rotation
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2020-11-09 21:20:56 +01:00 |
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Martin Diehl
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75401dd280
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generate configuration from table
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2020-10-09 07:45:20 +02:00 |
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Martin Diehl
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6ab88aad2b
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default format for Table is ASCII
hence, renamed load_ASCII/save_ASCII to load/save
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2020-09-20 20:45:06 +02:00 |
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Martin Diehl
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c935ba1215
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user friendly self reporting
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2020-09-18 16:23:23 +02:00 |
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Martin Diehl
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1849ff0330
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polishing
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2020-09-18 15:03:51 +02:00 |
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Philip Eisenlohr
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96ad358f83
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modified file reading/writing methods to load_X, save_X formalism
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2020-09-15 01:14:05 -04:00 |
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Martin Diehl
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f6758ecc28
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table class operates out of place
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2020-09-14 07:04:01 +02:00 |
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Philip Eisenlohr
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a4785ba562
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modified file writing of geom and table to a general to_file() that takes a "format=" argument
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2020-09-03 10:53:16 -04:00 |
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Martin Diehl
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0ceba2a6d3
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use central functionality
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2020-08-24 23:28:26 +02:00 |
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Martin Diehl
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6a748d2edf
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do not expand single strings into characters
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2020-06-28 11:19:18 +02:00 |
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Philip Eisenlohr
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9999560247
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easier understanding of from_ang data layout interpretation
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2020-06-24 18:36:43 -04:00 |
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Philip Eisenlohr
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14d3b7e66d
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more f-stringing
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2020-06-24 16:59:55 -04:00 |
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Philip Eisenlohr
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966b6f8007
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shapes init copes with integers instead of strict tuples; introduced f-strings
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2020-06-24 14:18:06 -04:00 |
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Martin Diehl
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bbce3456e8
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advise from pylint
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2020-03-22 22:30:38 +01:00 |
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Martin Diehl
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20a06840b0
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works also for arrays ...
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2020-03-21 11:07:21 +01:00 |
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Martin Diehl
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e390982be7
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clean first level structure
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2020-03-19 15:19:11 +01:00 |