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  1. Mar 28, 2019
  2. Mar 22, 2019
  3. Mar 19, 2019
  4. 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
  5. Feb 21, 2019
  6. Jan 21, 2019
  7. Jan 14, 2019
  8. Jan 11, 2019
  9. Dec 19, 2018
  10. Dec 18, 2018
  11. Dec 17, 2018
    • Giovanni Bussi's avatar
      Merge branch 'v2.3' into v2.4 · f84f2ceb
      Giovanni Bussi authored
      f84f2ceb
    • Giovanni Bussi's avatar
      changelog · 145e8e73
      Giovanni Bussi authored
      145e8e73
    • Giovanni Bussi's avatar
      fixed regtests · 6f3fd373
      Giovanni Bussi authored
      See #399
      6f3fd373
    • 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