Commits · master · Markus Scheidgen / parser-exciting

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
11 Jun, 2018 2 commits
- updated test · 7994437d
  Pardini, Lorenzo (lopa) authored Jun 11, 2018
  
  7994437d
- deleted unnecessary files · 2016ebf5
  Pardini, Lorenzo (lopa) authored Jun 11, 2018
  
  2016ebf5
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
18 Apr, 2018 1 commit
- DOS... · 76be5e34
  Pardini, Lorenzo (lopa) authored Apr 18, 2018
  
  76be5e34
19 Mar, 2018 1 commit
- added uploader-info.md · 87abe3fe
  Pardini, Lorenzo (lopa) authored Mar 19, 2018
  
  87abe3fe
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
25 Jan, 2018 1 commit
- added test for version lithium · ef195ccb
  Pardini, Lorenzo (lopa) authored Jan 25, 2018
  
  ef195ccb
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
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 1 commit
- fx bug in last segm GW-BS · 5b19fb20
  Pardini, Lorenzo (lopa) authored Jun 29, 2017
  
  5b19fb20