Sharan Roongta
|
edb7834404
|
typo
|
2021-05-20 10:30:00 +02:00 |
|
Martin Diehl
|
3977e230b3
|
documenting and ensuring consistent argument names
'name' for a dataset matches the analogy to a file name
|
2021-04-24 14:47:45 +02:00 |
|
Martin Diehl
|
4d67c85a33
|
clarify out-of-place behavior and document return values
|
2021-04-23 23:32:09 +02:00 |
|
Martin Diehl
|
9db1ef9ed7
|
polishing
|
2021-04-05 13:41:49 +02:00 |
|
Martin Diehl
|
c1f7ea750b
|
legacy access not needed anymore
|
2021-04-01 06:55:47 +02:00 |
|
Martin Diehl
|
8a3af87e3e
|
Merge remote-tracking branch 'origin/development' into spring-cleaning
|
2021-04-01 00:09:51 +02:00 |
|
Philip Eisenlohr
|
07c9cf5f1a
|
- improved reporting and slicing of table.
- implemented numpy-like `allclose` and `isclose`
|
2021-03-31 18:30:07 +00:00 |
|
Martin Diehl
|
a3ab890315
|
bugfix for ConfigMaterial
don't use mutable variables in python initializers, they get updated
|
2021-03-28 11:35:40 +02:00 |
|
Martin Diehl
|
be9e00347b
|
cleaning
dropped support for legacy table
|
2021-03-27 10:11:31 +01:00 |
|
Philip Eisenlohr
|
4208c4e713
|
adapted to Table.add being out-of-place
|
2021-03-08 11:04:49 -05:00 |
|
Philip Eisenlohr
|
7cbc69a4ca
|
added "Returns" to help
|
2021-03-08 11:02:27 -05:00 |
|
Martin Diehl
|
4e31862f0f
|
avoid repetition
|
2021-02-10 18:35:13 +01:00 |
|
Martin Diehl
|
6895ef6b18
|
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
|
2021-02-10 10:03:35 +01:00 |
|
Martin Diehl
|
35ca1ffb0a
|
consistent copy functionality
|
2021-01-03 12:03:40 +01:00 |
|
Martin Diehl
|
aad123f41b
|
Merge branch 'table-getitem' into development
|
2020-12-12 19:58:42 +01:00 |
|
Philip Eisenlohr
|
36e4042f0b
|
removed "where" method from Table class
|
2020-12-11 19:31:19 -05:00 |
|
Martin Diehl
|
ac0a20696c
|
rename: grid -> cells
|
2020-12-03 22:16:34 +01:00 |
|
Philip Eisenlohr
|
4877334986
|
added getitem and where functionality to Table
|
2020-12-02 19:25:54 -05:00 |
|
Martin Diehl
|
e15678e7a4
|
consistent handling of comments
|
2020-11-12 21:31:09 +01:00 |
|
Martin Diehl
|
5926f84851
|
WIP: refactoring Orientation=Symmetry+Rotation, Lattice=subclass of Sym, and Crystal=Lattice+Rotation
|
2020-11-09 21:20:56 +01:00 |
|
Martin Diehl
|
75401dd280
|
generate configuration from table
|
2020-10-09 07:45:20 +02:00 |
|
Martin Diehl
|
6ab88aad2b
|
default format for Table is ASCII
hence, renamed load_ASCII/save_ASCII to load/save
|
2020-09-20 20:45:06 +02:00 |
|
Martin Diehl
|
c935ba1215
|
user friendly self reporting
|
2020-09-18 16:23:23 +02:00 |
|
Martin Diehl
|
1849ff0330
|
polishing
|
2020-09-18 15:03:51 +02:00 |
|
Philip Eisenlohr
|
96ad358f83
|
modified file reading/writing methods to load_X, save_X formalism
|
2020-09-15 01:14:05 -04:00 |
|
Martin Diehl
|
f6758ecc28
|
table class operates out of place
|
2020-09-14 07:04:01 +02:00 |
|
Philip Eisenlohr
|
a4785ba562
|
modified file writing of geom and table to a general to_file() that takes a "format=" argument
|
2020-09-03 10:53:16 -04:00 |
|
Martin Diehl
|
0ceba2a6d3
|
use central functionality
|
2020-08-24 23:28:26 +02:00 |
|
Martin Diehl
|
6a748d2edf
|
do not expand single strings into characters
|
2020-06-28 11:19:18 +02:00 |
|
Philip Eisenlohr
|
9999560247
|
easier understanding of from_ang data layout interpretation
|
2020-06-24 18:36:43 -04:00 |
|
Philip Eisenlohr
|
14d3b7e66d
|
more f-stringing
|
2020-06-24 16:59:55 -04:00 |
|
Philip Eisenlohr
|
966b6f8007
|
shapes init copes with integers instead of strict tuples; introduced f-strings
|
2020-06-24 14:18:06 -04:00 |
|
Martin Diehl
|
bbce3456e8
|
advise from pylint
|
2020-03-22 22:30:38 +01:00 |
|
Martin Diehl
|
20a06840b0
|
works also for arrays ...
|
2020-03-21 11:07:21 +01:00 |
|
Martin Diehl
|
e390982be7
|
clean first level structure
|
2020-03-19 15:19:11 +01:00 |