Commits · 74e78a6d3ff42a8175e6a26df69174960a5046e7 · myron / ab2tds

Mar 25, 2019
- Merge branch 'master' of https://gitlab.esrf.fr/mirone/ab2tds · 74e78a6d
  mirone authored 5 years ago
  
  # Conflicts: # ab2tds/dabax.py # setup.py
  74e78a6d
- python3 · 2b4a7885
  mirone authored 5 years ago
  
  2b4a7885
Mar 13, 2019
- corrected unit-conversion-factors for calculating Debye-Waller factors · de3a13d3
  Alessandro Mirone authored 6 years ago
  
  de3a13d3
Mar 07, 2019
- retest · f76fc29d
  Alessandro Mirone authored 6 years ago
  
  f76fc29d
- adaptation to python3 : installs without errors · 60f089f2
  mironetest authored 6 years ago
  
  60f089f2
- adapting to python3 · 0abf7041
  Alessandro Mirone authored 6 years ago
  
  0abf7041
- python2 to 3 · 8ae2dc23
  Alessandro Mirone authored 6 years ago
  
  8ae2dc23
- CDI · 9aaf2dff
  Alessandro Mirone authored 6 years ago
  
  9aaf2dff
Nov 19, 2018
- adapted for volatile abinit format · d1f53856
  Alessandro Mirone authored 6 years ago
  
  d1f53856
Nov 18, 2018
- tried to fix abinit eigenvectors phase · 6b4b3153
  Alessandro Mirone authored 6 years ago
  
  6b4b3153
- corrections for proper normalisation · dcba5bd9
  Alessandro Mirone authored 6 years ago
  
  dcba5bd9
- abinit reading from Bjorn · 7f55f096
  Alessandro Mirone authored 6 years ago
  
  7f55f096
Nov 08, 2017
- fixed a mpi problem in parallel Fourier interpolation · 7204cd3c
  alex authored 7 years ago
  
  7204cd3c
- removed unwanted files · f64f66aa
  alex authored 7 years ago
  
  f64f66aa
- Merge https://gitlab.esrf.fr/mirone/ab2tds · 9cf4616e
  alex authored 7 years ago
  
  9cf4616e
- corrected the MPI type for Reduction from MPI.COMPLEX8 to MPI.__TypeDict__["F"] · 34dddff9
  Alessandro Mirone authored 7 years ago
  
  34dddff9
- corrected initialisation of Temperature ( typo TEMPERATURE) in make_TDS_DW · db200d97
  Alessandro Mirone authored 7 years ago
  
  db200d97
Feb 01, 2017
- doc redoc · 87e3caa6
  alex authored 8 years ago
  
  87e3caa6
- mis a jour de la doc · d351f78f
  alex authored 8 years ago
  
  d351f78f
May 26, 2016
- small correction · f4b9e265
  Alessandro Mirone authored 8 years ago
  
  f4b9e265
May 23, 2016
- removed unuseful line · 737860bd
  Alessandro Mirone authored 8 years ago
  
  737860bd
May 04, 2016
- added REREAD.py · af7e54cf
  Alessandro Mirone authored 8 years ago
  
  af7e54cf
Apr 26, 2016
- spettacolare · 1b5e76c4
  Alessandro Mirone authored 8 years ago
  
  1b5e76c4
Apr 21, 2016
- implementato multiresoluzione e peso variabile normalizzato · fa8e7cf3
  alex mirone authored 8 years ago
  
  fa8e7cf3
- finito calcolo secondo ordine ma mettere multiresoluzione · f2b13c88
  alex mirone authored 8 years ago
  
  f2b13c88
Apr 18, 2016
- Windows installation · 570a77fa
  alex mirone authored 8 years ago
  
  570a77fa
Mar 24, 2016
- scrivendo contributo secondo ordine : header della routine · bf63c6b9
  Alessandro MIRONE authored 8 years ago
  
  bf63c6b9
Mar 23, 2016
- creato struttura per calcolare 2ndo ordine · 86b27538
  Alessandro Mirone authored 8 years ago
  
  86b27538
Mar 16, 2016
- adapted tds2el harvesting to trigonals cells · 25a16985
  Alessandro Mirone authored 9 years ago
  
  25a16985
Feb 04, 2016
- corrected some rst documentation strings · 92e52d93
  Alessandro Mirone authored 9 years ago
  
  92e52d93
- added documentation for CODE reading parameter · 43fe4274
  Alessandro Mirone authored 9 years ago
  
  43fe4274
- Merge git.epn-campus.eu:ab2tds · 2d53f597
  Alessandro Mirone authored 9 years ago
  
  2d53f597
- added doc · 6159c49c
  Bjoern Wehinger authored 9 years ago
  
  6159c49c
- changed naming of vasp format · 688d786b
  Alessandro Mirone authored 9 years ago
  
  688d786b
Sep 07, 2015
- to be pushed on repository · 0f37e99f
  Alessandro Mirone authored 9 years ago
  
  0f37e99f
Sep 01, 2015
- rimosso il blocco della dipendenza · 053b6bc0
  Alessandro Mirone authored 9 years ago
  
  053b6bc0
Aug 31, 2015
- quasi pronto per produzione : rimane da introdurre un dipendenza in tds2el · ae6fe5b0
  Alessandro MIRONE authored 9 years ago
  
  ae6fe5b0
Aug 29, 2015
- rimesso in forma per generare collection con tanto di dw e scatts · 27c2b8f8
  Alessandro MIRONE authored 9 years ago
  
  27c2b8f8
Aug 28, 2015
- rimesso in forma per fittare intensity senza DW e scatts · f398f5af
  Alessandro MIRONE authored 9 years ago
  
  f398f5af
- messo in commento parte che verifica quadracita · 05af089d
  Alessandro MIRONE authored 9 years ago
  
  05af089d