Commits · b93f2bffc47a3a2b234bbcbdd8afe5b73e10f35d · nomad-lab / parser-lammps

05 Sep, 2016 1 commit
- new lammps classes · b93f2bff
  Adam Fekete authored Sep 05, 2016
  
  b93f2bff
30 Aug, 2016 1 commit
- basic test cases · 5896ceed
  Adam Fekete authored Aug 30, 2016
  
  5896ceed
01 Aug, 2016 6 commits
- remove temporary file generation · 6ac03252
  Adam Fekete authored Aug 01, 2016
  
  6ac03252
- converter for data file parser · edbf9d8d
  Adam Fekete authored Aug 01, 2016
  
  edbf9d8d
- extending the parsing part with all possible cases · 39e28fe4
  Adam Fekete authored Aug 01, 2016
  
  39e28fe4
- styles, coeffs, bug fix (dataSuperContext) · e9d5c8c2
  Adam Fekete authored Aug 01, 2016
  
  e9d5c8c2
- more test examples · 0a32eed2
  Adam Fekete authored Aug 01, 2016
  
  0a32eed2
- more test examples · 1f5e7a4a
  Adam Fekete authored Aug 01, 2016
  
  1f5e7a4a
31 Jul, 2016 1 commit
- backward compatibility for python 2 · c340a5a7
  Adam Fekete authored Jul 31, 2016
  
  c340a5a7
29 Jul, 2016 3 commits
- new version of parser using SimpleMatcher · a7875b3e
  Adam Fekete authored Jul 29, 2016
  
  a7875b3e
- update mainFileRe coresponding to the main log file and list of tests · 5b87b00f
  Adam Fekete authored Jul 29, 2016
  
  5b87b00f
- rerun example for generating main log file · 16d55a7a
  Adam Fekete authored Jul 29, 2016
  
  16d55a7a
26 Jul, 2016 6 commits
- fix open fucntion issue · eab58171
  Adam Fekete authored Jul 26, 2016
  
  eab58171
- fix open fucntion issue · 089d6ea7
  Adam Fekete authored Jul 26, 2016
  
  089d6ea7
- fix open fucntion issue · ee1721ed
  Adam Fekete authored Jul 26, 2016
  
  ee1721ed
- fix open fucntion issue · c2ada152
  Adam Fekete authored Jul 26, 2016
  
  c2ada152
- fix open fucntion issue · f7dee249
  Adam Fekete authored Jul 26, 2016
  
  f7dee249
- test · 415ff948
  Adam Fekete authored Jul 26, 2016
  
  415ff948
29 Jun, 2016 1 commit
- python3 version of generated data · 33e09090
  Mohamed, Fawzi Roberto (fawzi) authored Jun 29, 2016
  
  33e09090
23 Jun, 2016 2 commits
- Change variable name from python2Exe to pythonExe · 415c568b
  ankit kariryaa authored Jun 23, 2016
  
  415c568b
- Add test env for python2 (python3 is te default now) · ce481f58
  ankit kariryaa authored Jun 23, 2016
  
  ce481f58
22 Jun, 2016 1 commit
- python3 fixes: spaces only, //, encoding · ebc8074f
  Mohamed, Fawzi Roberto (fawzi) authored Jun 22, 2016
  
  ebc8074f
21 Jun, 2016 1 commit
- python3: futurize stage2 · 08624121
  Mohamed, Fawzi Roberto (fawzi) authored Jun 21, 2016
  
  08624121
15 Jun, 2016 3 commits
- fixing indexes · 10607cf7
  Massimo Riello authored Jun 15, 2016
  
  10607cf7
- parsing FF parameters from topology file, mainly · 32a4d235
  Massimo Riello authored Jun 15, 2016
  
  32a4d235
- cleaning and commenting · dc3d6ad7
  Massimo Riello authored Jun 15, 2016
  
  dc3d6ad7
14 Jun, 2016 2 commits
- conflicting warning removed · db76bdde
  Massimo Riello authored Jun 14, 2016
  
  db76bdde
- supporting unit conversion for several pair coefficient types · 790374da
  Massimo Riello authored Jun 14, 2016
  
  790374da
13 Jun, 2016 8 commits
- unit coversion for several FF functional styles · 8d806517
  Massimo Riello authored Jun 13, 2016
  
  8d806517
- cleaning + minor improvements · b932042b
  Massimo Riello authored Jun 13, 2016
  
  b932042b
- Update README.md · 1d6323ef
  Riello, Massimo (mriello) authored Jun 13, 2016
  
  1d6323ef
- Add README · 7fa2c98a
  Riello, Massimo (mriello) authored Jun 13, 2016
  
  7fa2c98a
- dir cleaning · 9128cd48
  Massimo Riello authored Jun 13, 2016
  
  9128cd48
- atom_labels: extending to most of the species of interest · 374f50d3
  Massimo Riello authored Jun 13, 2016
  
  374f50d3
- Update README.md · 6eef1680
  Riello, Massimo (mriello) authored Jun 13, 2016
  
  6eef1680
- topology file name read from input file · 8147a56c
  Massimo Riello authored Jun 13, 2016
  
  8147a56c
10 Jun, 2016 2 commits
- §frame_sequence_to_sampling_ref · 9603af04
  Massimo Riello authored Jun 10, 2016
  
  9603af04
- frame_sequence_local_frames_ref · 304259e1
  Massimo Riello authored Jun 10, 2016
  
  304259e1
27 May, 2016 1 commit
- generic mainFileRe · 0d19ca1c
  Riello, Massimo (mriello) authored May 27, 2016
  
  0d19ca1c
26 May, 2016 1 commit
- test · befb109a
  Massimo Riello authored May 26, 2016
  
  befb109a