- Jul 13, 2019
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Gareth Tribello authored
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- May 07, 2019
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MoleOrbitalHybridAnalyst authored
I verified it, I will then modified a regtest so to keep checking for this
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- Mar 15, 2019
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Gareth Tribello authored
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- Feb 27, 2019
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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
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- Jan 11, 2019
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Dec 18, 2018
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Giovanni Bussi authored
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- Dec 14, 2018
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Gareth Tribello authored
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- Jul 05, 2018
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Giovanni Bussi authored
Notice that this change required a bit of hacking. setAveragingAction now takes a std::unique_ptr as an argument. I think ownership is clearer now since it is explicitly declared.
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- May 13, 2018
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Giovanni Bussi authored
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- Apr 11, 2018
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Giovanni Bussi authored
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- Mar 12, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Feb 11, 2018
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Giovanni Bussi authored
I went through cppcheck warnings (style) and fixes those I understood. Mostly issues related to scope of variables.
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Jan 22, 2018
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carlocamilloni authored
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carlocamilloni authored
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- Nov 30, 2017
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carlocamilloni authored
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- Oct 31, 2017
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Giovanni Bussi authored
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- Oct 08, 2017
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Giovanni Bussi authored
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- Aug 03, 2017
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Gareth Tribello authored
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- Jul 23, 2017
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Giovanni Bussi authored
Regenerated after c40b96fe
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- Jul 05, 2017
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Gareth Tribello authored
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Gareth Tribello authored
This bug was pointed out by Jutta Rogal. Also added regtest so that bug stays fixed in future
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- Jun 14, 2017
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Giovanni Bussi authored
After \par Examples there should be an empty line [makedoc]
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- Jun 08, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 06, 2017
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Giovanni Bussi authored
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Gareth Tribello authored
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- May 23, 2017
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Gareth Tribello authored
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- May 14, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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- May 12, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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- May 11, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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- May 08, 2017
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Gareth Tribello authored
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Gareth Tribello authored
This fixes a problem in the way atoms are setup for calculations where you take an input from a multicolvar filter as input to a new multicolvar if SPECIESA and SPECIESB are used. For instance you might be calculating Q6 for those atoms that have a coordination number greater than 4
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