Commits · 367dc96a17d9358ba17a2a173a9ff03078f1b93e · nomad-lab / parser-exciting

23 Jan, 2018 2 commits
- 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
19 Dec, 2017 1 commit
- correct dos values · 9c745d09
  Pardini, Lorenzo (lopa) authored Dec 19, 2017
  
  9c745d09
04 Dec, 2017 1 commit
- fixed small bug in dos · 4cd9cdcc
  Pardini, Lorenzo (lopa) authored Dec 04, 2017
  
  4cd9cdcc
09 Nov, 2017 3 commits
- fixed sec_sys · 931ab52b
  Pardini, Lorenzo (lopa) authored Nov 09, 2017
  
  931ab52b
- gw xml parser + small fixes · 632e061d
  Pardini, Lorenzo (lopa) authored Nov 09, 2017
  
  632e061d
- gw xml parser · 2c7c8b32
  Pardini, Lorenzo (lopa) authored Nov 09, 2017
  
  2c7c8b32
30 Oct, 2017 1 commit
- fixed GAMMA in bs · e2c04503
  Pardini, Lorenzo (lopa) authored Oct 30, 2017
  
  e2c04503
25 Oct, 2017 1 commit
- license header for scala files · 768d52af
  Mohamed, Fawzi Roberto (fawzi) authored Oct 26, 2017
  
  768d52af
24 Oct, 2017 1 commit
- Few gw metadata · b4262dc0
  Pardini, Lorenzo (lopa) authored Oct 24, 2017
  
  b4262dc0
20 Oct, 2017 1 commit
- back to dos in states/(J*cell) · 1208962b
  Pardini, Lorenzo (lopa) authored Oct 20, 2017
  
  1208962b
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
22 Sep, 2017 1 commit
- updated GW parser · 4bda169e
  Pardini, Lorenzo (lopa) authored Sep 22, 2017
  
  4bda169e
21 Sep, 2017 1 commit
- fixed GW parser · a65c9a08
  Pardini, Lorenzo (lopa) authored Sep 21, 2017
  
  a65c9a08
06 Sep, 2017 1 commit
- fixed bug in DOS energies units · 1c4afcf4
  Pardini, Lorenzo (lopa) authored Sep 06, 2017
  
  1c4afcf4
25 Aug, 2017 1 commit
- added starting point for GW · 53f9b02d
  Pardini, Lorenzo (lopa) authored Aug 25, 2017
  
  53f9b02d
24 Aug, 2017 1 commit
- fixed units in GW-"qiang", eval, sc, sx BS · 2f5fb0c8
  Pardini, Lorenzo (lopa) authored Aug 24, 2017
  
  2f5fb0c8
23 Aug, 2017 1 commit
- fixed bug due to unofficial GW version · 86900ec2
  Pardini, Lorenzo (lopa) authored Aug 23, 2017
  
  86900ec2
11 Aug, 2017 1 commit
- fixed GAMMA to Gamma in BS · d8f000c1
  Pardini, Lorenzo (lopa) authored Aug 11, 2017
  
  d8f000c1
29 Jun, 2017 3 commits
- fx bug in last segm GW-BS · 5b19fb20
  Pardini, Lorenzo (lopa) authored Jun 29, 2017
  
  5b19fb20
- 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
26 Jun, 2017 2 commits
- corrected small bug · 3f5d9afe
  Pardini, Lorenzo (lopa) authored Jun 26, 2017
  
  3f5d9afe
- 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