-
Notifications
You must be signed in to change notification settings - Fork 28
/
Copy pathCHANGELOG
91 lines (53 loc) · 1.53 KB
/
CHANGELOG
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
Jan 23th 2015
=============
v1.0
* Added the possiblity to parse the PROCAR file from the
non-collinear spin-polarized calculation.
* Added the possibility to unfold both spin up and spin
down components.
Jan 28th 2015
=============
v1.1
* Refactored code into separate files. App can be packed
into single executable with pack.sh script.
* Spin polarized and non-collinear PROCARS are now fully
parsed.
Aug 18th 2015
=============
v1.2
* Can handle vacancies and excess atoms not. One to one
mapping check is now optional.
Aug 31st 2015
=============
v1.3
* Changed the way orbital weights are unfolded. Orbital
weights from the non-collinear spin-polarized calculation
are now fully unfolded.
* Added a small plotting utility to plot fatbands.
* File structure reorganized again.
* Added extended error message regarding broken PROCAR
formatting.
Mar 4th 2016
=============
v1.31
* Fixed the output format for the unfolded PROCAR in the case
of the non-collinear calculation.
Apr 25th 2017
=============
v1.32
* Added handling of fractional translation generators components
as general fractions (previously only 1/x was possible).
May 30th 2017
=============
v1.33
* Fixed improper checking of linear independence of fractional translation
generators.
May 31st 2017
=============
v1.34
* Fixed bug with numpy fraction issues.
December 12th 2017
=============
v1.4
* Added handling of PROCAR files for VASP 5.4.4
* Fixed problem where POSCARS with Selective Dynamics were not handled