CHANGELOG.md 1.94 KB
Newer Older
Marco Govoni's avatar
Marco Govoni committed
1
2
3
Change Log
==========

Marco Govoni's avatar
Marco Govoni committed
4
5
6
vX.X.X (XXXX/XX/XX)
-------------------

Marco Govoni's avatar
Marco Govoni committed
7
- Introduced automatic installation of missing python packages
Marco Govoni's avatar
Marco Govoni committed
8
9
- Updated manual

Marco Govoni's avatar
Marco Govoni committed
10
v4.1.0 (2019/10/18)
11
12
-------------------

Marco Govoni's avatar
Marco Govoni committed
13
- Improved usability of client/server mode with `server_control`
14
- Reduced execution time of wfreq (W) for solids
Marco Govoni's avatar
Marco Govoni committed
15
16
- Added build instructions for RCC-Midway and MacOSX
- Updated build instructions for ALCF-Theta
Marco Govoni's avatar
Marco Govoni committed
17
- Updated manual
18

Marco Govoni's avatar
Marco Govoni committed
19
20
21
22
v4.0.0 (2019/09/30)
-------------------

- Added client/server mode
Marco Govoni's avatar
Marco Govoni committed
23
- Added coupling to Qbox code (http://qboxcode.org)
Marco Govoni's avatar
Marco Govoni committed
24
- Added python3 interface
Marco Govoni's avatar
Marco Govoni committed
25
- Simplified the input format (now accepting both JSON and YAML formats)
Marco Govoni's avatar
Marco Govoni committed
26
- Expanded documentation
Marco Govoni's avatar
Marco Govoni committed
27

Marco Govoni's avatar
Marco Govoni committed
28
v3.1.1 (2018/09/19)
Marco Govoni's avatar
Marco Govoni committed
29
30
-------------------

Marco Govoni's avatar
Marco Govoni committed
31
32
- Python suite for pre- and post process WEST calculations

Marco Govoni's avatar
Marco Govoni committed
33
34
35
v3.1.0 (2018/06/30)
-------------------

Marco Govoni's avatar
Marco Govoni committed
36
- Introduction of k-points sampling
Marco Govoni's avatar
Marco Govoni committed
37
- Porting to Intel KNL
Marco Govoni's avatar
Marco Govoni committed
38
39
- Migration of all developments to a private GitLab server, and master branch mirrored to GitHub
- Test suite and continuous integration in place to automatically test the integrity of the code at every addition
Marco Govoni's avatar
Marco Govoni committed
40
41
42
43
44
- Expansion of documentation, and streamlining of its generation using markup language (Sphinx)


v3.0.0 (2017/07/16)
-------------------
Marco Govoni's avatar
Marco Govoni committed
45
46
47

- Restructuring of I/O in JSON (JavaScript Object Notation) format, thus enabling seamless integration with pre-/postprocessing tools and compatibility with Jupyter electronic notebooks

Marco Govoni's avatar
Marco Govoni committed
48
49
50
v2.0.0 (2016/10/19)
-------------------

Marco Govoni's avatar
Marco Govoni committed
51
52
53
- Implementation of spin-orbit coupling
- Implementation of novel hybrid functionals derived from GW self-energy

Marco Govoni's avatar
Marco Govoni committed
54
55
56
v1.1.0 (2016/05/20)
-------------------

Marco Govoni's avatar
Marco Govoni committed
57
58
- Addition of postprocessing routines, forming the seed for WESTpy

Marco Govoni's avatar
Marco Govoni committed
59
60
61
v1.0.3 (2016/01/08)
-------------------

Marco Govoni's avatar
Marco Govoni committed
62
63
- Efficiency improvements and bug fixes to the contour deformation technique

Marco Govoni's avatar
Marco Govoni committed
64
65
66
v1.0.2 (2015/09/23)
-------------------

Marco Govoni's avatar
Marco Govoni committed
67
68
- Efficiency improvements and bug fixes to the PDEP algorithm

Marco Govoni's avatar
Marco Govoni committed
69
70
71
72
v1.0.1 (2015/06/20)
-------------------

- Initial beta release of WEST: GW without empty states