Commits · f66874279e87cf9b3485758ec579a351100bad9b · Markus Scheidgen / parser-exciting

30 Nov, 2016 1 commit

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 4 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
- fixed bug with atomic positions · 2d437e39
  Pardini, Lorenzo (lopa) authored Oct 10, 2016
  
  2d437e39
- Fixed bug with eigenvalues · 4b35ff9d
  Pardini, Lorenzo (lopa) authored Oct 10, 2016
  
  4b35ff9d
05 Oct, 2016 1 commit
- fixed bug with print · ae439419
  Pardini, Lorenzo (lopa) authored Oct 05, 2016
  
  ae439419
02 Oct, 2016 3 commits
- added exciting_parser_input · c8093ab4
  Pardini, Lorenzo (lopa) authored Oct 02, 2016
  
  c8093ab4
- fixed problem with xc functionals · 22eac9f2
  Pardini, Lorenzo (lopa) authored Oct 02, 2016
  
  22eac9f2
- fixed problem with atom_positions · 9f113cd7
  Pardini, Lorenzo (lopa) authored Oct 02, 2016
  
  9f113cd7
01 Sep, 2016 2 commits
- added spin metadata · 97315bd0
  Pardini, Lorenzo (lopa) authored Sep 01, 2016
  
  97315bd0
- added spin-polarised calcs with/without SO · f914770f
  Pardini, Lorenzo (lopa) authored Sep 01, 2016
  
  f914770f
30 Aug, 2016 1 commit
- fixed a bug in fermi surface (changed definition of metadata) · aad9197c
  Pardini, Lorenzo (lopa) authored Aug 30, 2016
  
  aad9197c
26 Aug, 2016 2 commits
- test · af38fd0f
  Pardini, Lorenzo (lopa) authored Aug 26, 2016
  
  af38fd0f
- added calculation of Fermi surface · 8ee114f6
  Pardini, Lorenzo (lopa) authored Aug 26, 2016
  
  8ee114f6
24 Aug, 2016 1 commit
- added parsing of forces · e310b1cd
  Pardini, Lorenzo (lopa) authored Aug 24, 2016
  
  e310b1cd
23 Aug, 2016 1 commit
- added parsing of the fermi surface · 8ac9c901
  Pardini, Lorenzo (lopa) authored Aug 23, 2016
  
  8ac9c901
18 Aug, 2016 2 commits
- added eigvalOcc · b1136f9f
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  b1136f9f
- added conversion for eigenvalues · 042c3311
  Pardini, Lorenzo (lopa) authored Aug 18, 2016
  
  042c3311
03 Aug, 2016 3 commits
- fixed a bug in simulation_reciprocal_cell · 5bc13711
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  5bc13711
- fixed a bug concerning configuration_periodic_systems · b0e0fe9b
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  b0e0fe9b
- added configuration periodic dimensions · 8789b1d8
  Pardini, Lorenzo (lopa) authored Aug 03, 2016
  
  8789b1d8
01 Aug, 2016 2 commits
- fix periodic directions · a9f9dbc2
  Pardini, Lorenzo (lopa) authored Aug 02, 2016
  
  a9f9dbc2
- removing extra files · b7c3078a
  Pardini, Lorenzo (lopa) authored Aug 01, 2016
  
  b7c3078a
31 Jul, 2016 2 commits
- added |G+k|max · bad20a99
  Pardini, Lorenzo (lopa) authored Jul 31, 2016
  
  bad20a99
- fixed few bugs · 4f6adfba
  Pardini, Lorenzo (lopa) authored Jul 31, 2016
  
  4f6adfba
28 Jul, 2016 1 commit
- updated names of metainfo with x_ · 164835e9
  Pardini, Lorenzo (lopa) authored Jul 28, 2016
  
  164835e9
23 Jun, 2016 2 commits
- Change variable name from python2Exe to pythonExe · a9882115
  ankit kariryaa authored Jun 23, 2016
  
  a9882115
- Add test env for python2 (python3 is te default now) · c67be13a
  ankit kariryaa authored Jun 23, 2016
  
  c67be13a
21 Jun, 2016 1 commit
- python3: futurize stage2 · 6b046ebe
  Mohamed, Fawzi Roberto (fawzi) authored Jun 21, 2016
  
  6b046ebe
20 Jun, 2016 1 commit
- remove print to pass futurize stage1 · a392a225
  Mohamed, Fawzi Roberto (fawzi) authored Jun 20, 2016
  
  a392a225
10 Jun, 2016 3 commits
- initial fix of xc parsing · c6bdaba8
  Mohamed, Fawzi Roberto (fawzi) authored Jun 10, 2016
  
  c6bdaba8
- adding exciting_parser_bandstructure.py to scala wrapper · 70138125
  Mohamed, Fawzi Roberto (fawzi) authored Jun 10, 2016
  
  70138125
- removing spurious print pippo that did break the json · defa0704
  Mohamed, Fawzi Roberto (fawzi) authored Jun 10, 2016
  
  defa0704
09 Jun, 2016 2 commits
- deleted wrong parser · 40ab2b62
  Pardini, Lorenzo (lopa) authored Jun 09, 2016
  
  40ab2b62
- convergence criteria · bb2f7205
  Pardini, Lorenzo (lopa) authored Jun 09, 2016
  
  bb2f7205