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  1. Nov 05, 2019
  2. Sep 09, 2019
  3. Sep 04, 2019
  4. May 27, 2019
  5. May 25, 2019
  6. May 07, 2019
  7. Mar 19, 2019
  8. Feb 27, 2019
    • Giovanni Bussi's avatar
      Removed duplicates keywords · 8ed9697a
      Giovanni Bussi authored
      Can be found with the following python snippet
      
      import re
      plumedDictionary={}
      with open("/opt/local/lib/plumed/vim/syntax/plumed.vim") as fin:
          for line in fin:
              if re.match("^let b:plumedDictionary\[.*$",line):
                  line=re.sub("^let b:","",line)
                  exec(line,{'__builtins__': None},{'plumedDictionary':plumedDictionary})
      for key in plumedDictionary.keys():
          diction={}
          for opt in plumedDictionary[key]:
              if(opt['word'] in diction):
                  print(key,opt['word'])
              diction[opt['word']]=1
      8ed9697a
  9. Jan 14, 2019
  10. Jan 11, 2019
  11. Dec 17, 2018
    • fiskissimo's avatar
      Fix: Segmentation fault whenever more than 2 CVs are used for METAD with REWEIGHTING_NGRID #328 · 4f709055
      fiskissimo authored
      I tried to interpret and fix the code and for me it works nicely with 1 to 3 CVs.
      Here a brief description: the index i spans through the whole reweghting-grid (according to the mpi rank in case of mpi).
      rewf_grid_ contains the size on each dimension of the reweghting-grid. t_index is the array containing the coordinates of i in each dimension of the grid. The indexes had to be changed from i to j in line 1967, which indeed spans correctly the dimensions of the grid. In 1968 in order to get the correct index, we need to subtract the former index (ncv-2 -- instead of "ncv-1" which is yet not assigned -- from what is left of kk).
      
      I didn't attempt any further test.
      
      Please let me know if I had misinterpreted the code.
      
      Fixes #399
      4f709055
  12. Dec 13, 2018
  13. Dec 12, 2018
  14. Dec 11, 2018
    • Giovanni Bussi's avatar
      Same as 04cae903 · d9508a8f
      Giovanni Bussi authored
      d9508a8f
    • Giovanni Bussi's avatar
      Fixed memory leak · 04cae903
      Giovanni Bussi authored
      cc: @carlocamilloni
      04cae903
    • Giovanni Bussi's avatar
      Fix #421 · 02d6d5a8
      Giovanni Bussi authored
      Notice that I had to change to interface of a couple of functions
      ActionSet:getLabelList() and getLabelVector()
      adding a template parameter.
      Should be harmless since these functions were used in a few places only.
      02d6d5a8
  15. Dec 08, 2018
  16. Dec 07, 2018
  17. Dec 06, 2018
  18. Dec 05, 2018
  19. Nov 27, 2018
  20. Oct 15, 2018
  21. Oct 14, 2018
  22. Oct 13, 2018
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