- Mar 28, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Mar 22, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
(backported from v2.5)
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Giovanni Bussi authored
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Giovanni Bussi authored
no actual change
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- Mar 20, 2019
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Gareth Tribello authored
[makedoc]
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- Mar 19, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
See #435
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Gareth Tribello authored
[makedoc] (cherry picked from commit 781e5677)
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- Mar 15, 2019
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Gareth Tribello authored
[makedoc]
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Gareth Tribello authored
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- Mar 07, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Feb 28, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Feb 27, 2019
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Giovanni Bussi authored
see 8ed9697a
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Giovanni Bussi authored
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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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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Feb 26, 2019
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Giovanni Bussi authored
In addition to numpy arrays, I make it possible to pass plain python arrays.
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Giovanni Bussi authored
I think the inclusion of numpy headers was related to non used variables forgotten from an intermediate implementation. I just removed them. In this manner it is not necessary that numpy is already installed when plumed extension is compiled. Numpy would be anyway required to run our test.
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Giovanni Bussi authored
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- Feb 25, 2019
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Giovanni Bussi authored
I think this is more robust. If an MD code uses a negative value with a specific meaning (e.g. -1 to imply some choice) casting to unsigned will translate -1 to 4294967295, which is positive
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Giovanni Bussi authored
This fixes #446
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- Feb 22, 2019
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Giovanni Bussi authored
Requires adding a cpp-suppress
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