Commits · 44ccc079c528c965678b688c4db35b67d38dcd1b · Markus Scheidgen / parser-exciting

26 Jun, 2017 1 commit
- corrected bug in BS · 44ccc079
  Pardini, Lorenzo (lopa) authored Jun 26, 2017
  
  44ccc079
17 Jun, 2017 1 commit
- fixed small bug with magnetic moments · 479eca9b
  Pardini, Lorenzo (lopa) authored Jun 17, 2017
  
  479eca9b
16 Jun, 2017 1 commit
- fixed bug in gw (duplicated metadata) · baebdf43
  Pardini, Lorenzo (lopa) authored Jun 16, 2017
  
  baebdf43
10 May, 2017 2 commits
- added GW parsing for boron · 7dc00b9a
  Pardini, Lorenzo (lopa) authored May 10, 2017
  
  7dc00b9a
- added GW calculation from exciting Boron version · 5f2dab3d
  Pardini, Lorenzo (lopa) authored May 10, 2017
  
  5f2dab3d
07 Apr, 2017 1 commit
- fixed small bug in bandstructure and GW · ede869ef
  Pardini, Lorenzo (lopa) authored Apr 07, 2017
  
  ede869ef
28 Mar, 2017 1 commit
- added GW bandstructure · d35be7b3
  Pardini, Lorenzo (lopa) authored Mar 28, 2017
  
  d35be7b3
24 Mar, 2017 2 commits
- added GW dos · 87cdec0b
  Pardini, Lorenzo (lopa) authored Mar 24, 2017
  
  87cdec0b
- fixed bugs in BS, atom pos and added GW · 6c38b926
  Pardini, Lorenzo (lopa) authored Mar 24, 2017
  
  6c38b926
15 Mar, 2017 3 commits
- added bandstructure parsing · b20effff
  Pardini, Lorenzo (lopa) authored Mar 15, 2017
  
  b20effff
- added bandstructure parsing · f50fc0ac
  Pardini, Lorenzo (lopa) authored Mar 15, 2017
  
  f50fc0ac
- added bandstructure parsing · 6c9b6e67
  Pardini, Lorenzo (lopa) authored Mar 15, 2017
  
  6c9b6e67
14 Feb, 2017 1 commit
- fixed bug with atom positions · 93537a4e
  Pardini, Lorenzo (lopa) authored Feb 14, 2017
  
  93537a4e
24 Jan, 2017 1 commit
- added k_band_path_normalized_is_standard · 83461cd6
  Pardini, Lorenzo (lopa) authored Jan 24, 2017
  
  83461cd6
20 Jan, 2017 1 commit
- fixed small bug in muffin tin metadata · 12037527
  Pardini, Lorenzo (lopa) authored Jan 20, 2017
  
  12037527
19 Jan, 2017 1 commit
- spin treatmnet and lm for dos, plus other small fixes · 16a20337
  Pardini, Lorenzo (lopa) authored Jan 19, 2017
  
  16a20337
18 Jan, 2017 1 commit
- fixed small bug in parser bandstructure · e8002fcb
  Pardini, Lorenzo (lopa) authored Jan 18, 2017
  
  e8002fcb
17 Jan, 2017 1 commit
- fixed bandstructure and added spin treatment · fe893445
  Pardini, Lorenzo (lopa) authored Jan 17, 2017
  
  fe893445
09 Jan, 2017 1 commit
- added spin treatment in helium · 238f0b82
  Pardini, Lorenzo (lopa) authored Jan 09, 2017
  
  238f0b82
04 Jan, 2017 1 commit
- Spin treatment for eigenvalues · 14ac4dd4
  Pardini, Lorenzo (lopa) authored Jan 04, 2017
  
  14ac4dd4
02 Jan, 2017 1 commit
- fixed bug with refs from single config calc to system and method · da801717
  Pardini, Lorenzo (lopa) authored Jan 02, 2017
  
  da801717
30 Dec, 2016 1 commit
- added refs from single config calc to system and method · a6d3a721
  Pardini, Lorenzo (lopa) authored Dec 30, 2016
  
  a6d3a721
29 Dec, 2016 1 commit
- added electronic_structure_method · 2fc48b51
  Pardini, Lorenzo (lopa) authored Dec 29, 2016
  
  2fc48b51
27 Dec, 2016 1 commit
- fixed bug in Fermi energy parsing · c9aee2a0
  Pardini, Lorenzo (lopa) authored Dec 27, 2016
  
  c9aee2a0
22 Dec, 2016 3 commits
- fixed problem with atom labels · 9ebe08f4
  Pardini, Lorenzo (lopa) authored Dec 22, 2016
  
  9ebe08f4
- fixed bug with atom labels · 929df8d2
  Pardini, Lorenzo (lopa) authored Dec 22, 2016
  
  929df8d2
- Fixed bug with atom labels · f1cca097
  Pardini, Lorenzo (lopa) authored Dec 22, 2016
  
  f1cca097
21 Dec, 2016 4 commits
- fixed problem with muffin tin · 522ed4fa
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  522ed4fa
- added script for exciting helium · a8a9caf7
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  a8a9caf7
- calculation with exciting helium · f1b095d9
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  f1b095d9
- adding parser for older helium version of exciting · a86fc00f
  Pardini, Lorenzo (lopa) authored Dec 21, 2016
  
  a86fc00f
30 Nov, 2016 2 commits
- fix debug · 92a0c8cb
  Pardini, Lorenzo (lopa) authored Nov 30, 2016
  
  92a0c8cb
- Fixed some issues with formatting, the band tructure parser is currently... · f6687427
  Lauri Himanen authored Nov 30, 2016
```
Fixed some issues with formatting, the band tructure parser is currently disabled and the 'debug' mode is enabled in parser_exciting.py
```
  f6687427
01 Nov, 2016 1 commit
- avid extra dim in k_points · 6b450222
  Mohamed, Fawzi Roberto (fawzi) authored Nov 01, 2016
  
  6b450222
27 Oct, 2016 2 commits
- removing annotate file · c463574d
  Mohamed, Fawzi Roberto (fawzi) authored Oct 27, 2016
  
  c463574d
- python3 fix · 89b1248b
  Mohamed, Fawzi Roberto (fawzi) authored Oct 27, 2016
  
  89b1248b
26 Oct, 2016 1 commit
- fixing parsing atom_labels · f08e9763
  Mohamed, Fawzi Roberto (fawzi) authored Oct 27, 2016
  
  f08e9763
23 Oct, 2016 1 commit
- hack to fix eigenvalues (assuming only one spin channel) · 8ec25541
  Mohamed, Fawzi Roberto (fawzi) authored Oct 24, 2016
  
  8ec25541
10 Oct, 2016 2 commits
- fixed bug with atom positions · 68c98940
  Pardini, Lorenzo (lopa) authored Oct 10, 2016
  
  68c98940
- fixed bug with atomic positions · dca9e01f
  Pardini, Lorenzo (lopa) authored Oct 10, 2016
  
  dca9e01f