Commits · master · myron / ab2tds

Jan 27, 2025
- added a conversion script from alamode to castep. · 8f685220
  Bjorn Wehinger authored 1 month ago
  
  8f685220
Oct 30, 2022
- aded conda recipe · 6365b42f
  myron authored 2 years ago
  
  6365b42f
- interactivity in searching for maximum contrast works again · 625a7b5d
  myron authored 2 years ago
  
  625a7b5d
Oct 29, 2022
- conda build ok · f839c4a0
  myron authored 2 years ago
  
  f839c4a0
Apr 30, 2021

myron authored 3 years ago

fixing scripts for python3

fixing scripts for python3

fixing scripts for python3

fixing scripts for python3

cleaned

cleaned

f0c8b437

Nov 15, 2019
- correction suggested by Wolfgang Morgenroth · 26aab620
  myron authored 5 years ago
  
  26aab620
Sep 30, 2019
- corrected dabax · 5de88ebf
  myron authored 5 years ago
  
  5de88ebf
Sep 24, 2019
- corrected f0 · 1b249604
  Alessandro Mirone authored 5 years ago
  
  1b249604
Aug 27, 2019
- dabax · beb662b4
  Alessandro Mirone authored 5 years ago
  
  beb662b4
Mar 25, 2019
- corrected problems coming from python3 · 4a68b109
  mirone authored 5 years ago
  
  OK
  4a68b109
- correcting python3 changes · a635842f
  mirone authored 5 years ago
  
  a635842f
- 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