Commits · 1a51946c8d8b404990898a8b0a423e08d41c8fa1 · Markus Scheidgen / parser-exciting

13 Jul, 2018 1 commit
- Added copyright statements and license. · 1a51946c
  Markus Scheidgen authored Jul 13, 2018
  
  1a51946c
02 Jul, 2018 1 commit
- BSE Xas · 9829c661
  Pardini, Lorenzo (lopa) authored Jul 02, 2018
  
  9829c661
29 Jun, 2018 1 commit
- support for BSE · cb1215f3
  Pardini, Lorenzo (lopa) authored Jun 29, 2018
  
  cb1215f3
28 Jun, 2018 1 commit
- BSE exciton · b6fab8c3
  Pardini, Lorenzo (lopa) authored Jun 28, 2018
  
  b6fab8c3
27 Jun, 2018 1 commit
- BSE input metadata · 75cc209a
  Pardini, Lorenzo (lopa) authored Jun 27, 2018
  
  75cc209a
22 May, 2018 2 commits
- added various tests · b0119f62
  Pardini, Lorenzo (lopa) authored May 22, 2018
  
  b0119f62
- added specific parsing for Clathrates · 4d3635a6
  Pardini, Lorenzo (lopa) authored May 22, 2018
  
  4d3635a6
03 May, 2018 1 commit
- adapted headers · f3d9e730
  Pardini, Lorenzo (lopa) authored May 03, 2018
  
  f3d9e730
25 Apr, 2018 1 commit
- added forces · 268a3b54
  Pardini, Lorenzo (lopa) authored Apr 25, 2018
  
  268a3b54
24 Apr, 2018 1 commit
- geometry optimization · 3506542b
  Pardini, Lorenzo (lopa) authored Apr 24, 2018
  
  3506542b
13 Mar, 2018 1 commit
- added licence header + skipped forces · ec6392cb
  Pardini, Lorenzo (lopa) authored Mar 13, 2018
  
  ec6392cb
05 Mar, 2018 1 commit
- support for libXC · 5b44e43f
  Pardini, Lorenzo (lopa) authored Mar 05, 2018
  
  5b44e43f
02 Feb, 2018 1 commit
- added gw bandgap, frequencies and more · c33c2e76
  Pardini, Lorenzo (lopa) authored Feb 02, 2018
  
  c33c2e76
30 Jan, 2018 1 commit
- added forces, conv. thresh etc · 56c1aefd
  Pardini, Lorenzo (lopa) authored Jan 30, 2018
  
  56c1aefd
23 Jan, 2018 3 commits
- fixed bug with energy_thresh · 1d2046cd
  Pardini, Lorenzo (lopa) authored Jan 23, 2018
  
  1d2046cd
- added energy convergence threshold · 367dc96a
  Pardini, Lorenzo (lopa) authored Jan 23, 2018
  
  367dc96a
- added scf_threshold_energy_change · 0a4e13b7
  Pardini, Lorenzo (lopa) authored Jan 23, 2018
  
  0a4e13b7
04 Dec, 2017 1 commit
- fixed small bug in dos · 4cd9cdcc
  Pardini, Lorenzo (lopa) authored Dec 04, 2017
  
  4cd9cdcc
09 Nov, 2017 1 commit
- gw xml parser + small fixes · 632e061d
  Pardini, Lorenzo (lopa) authored Nov 09, 2017
  
  632e061d
24 Oct, 2017 1 commit
- Few gw metadata · b4262dc0
  Pardini, Lorenzo (lopa) authored Oct 24, 2017
  
  b4262dc0
19 Oct, 2017 1 commit
- fixed dos units and gw · ae6a31fb
  Pardini, Lorenzo (lopa) authored Oct 19, 2017
  
  ae6a31fb
18 Oct, 2017 1 commit
- fixed dos and gw · cc0eb5aa
  Pardini, Lorenzo (lopa) authored Oct 18, 2017
  
  cc0eb5aa
21 Sep, 2017 1 commit
- fixed GW parser · a65c9a08
  Pardini, Lorenzo (lopa) authored Sep 21, 2017
  
  a65c9a08
25 Aug, 2017 1 commit
- added starting point for GW · 53f9b02d
  Pardini, Lorenzo (lopa) authored Aug 25, 2017
  
  53f9b02d
23 Aug, 2017 1 commit
- fixed bug due to unofficial GW version · 86900ec2
  Pardini, Lorenzo (lopa) authored Aug 23, 2017
  
  86900ec2
29 Jun, 2017 2 commits
- removed a "print" · 3bfbe52b
  Pardini, Lorenzo (lopa) authored Jun 29, 2017
  
  3bfbe52b
- GW boron version fixed · 8d6b2d16
  Pardini, Lorenzo (lopa) authored Jun 29, 2017
  
  8d6b2d16
17 Jun, 2017 1 commit
- fixed small bug with magnetic moments · 479eca9b
  Pardini, Lorenzo (lopa) authored Jun 17, 2017
  
  479eca9b
24 Mar, 2017 1 commit
- fixed bugs in BS, atom pos and added GW · 6c38b926
  Pardini, Lorenzo (lopa) authored Mar 24, 2017
  
  6c38b926
15 Mar, 2017 2 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
14 Feb, 2017 1 commit
- fixed bug with atom positions · 93537a4e
  Pardini, Lorenzo (lopa) authored Feb 14, 2017
  
  93537a4e
20 Jan, 2017 1 commit
- fixed small bug in muffin tin metadata · 12037527
  Pardini, Lorenzo (lopa) authored Jan 20, 2017
  
  12037527
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