- May 12, 2017
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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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Gareth Tribello authored
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Gareth Tribello authored
- May 09, 2017
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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- May 08, 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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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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- May 07, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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- May 05, 2017
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
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- May 04, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Notice that almost all files were updated with the astyle commit 2813d759 Year in header is here updated to 2017
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Giovanni Bussi authored
File was inconsistent with action and class name
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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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Gareth Tribello authored
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Gareth Tribello authored
Also ran astyle
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Gareth Tribello authored
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- May 03, 2017
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Andrew White authored
* Added R_POWER option to multicolvar/CoordinationNumber This is to allow the coordination number moments from White and Voth 2014 JCTC and subsequent papers. They are used as a scalar proxy for biasing radial distribution. Regtest and CHANGES line have been added as well as the function/documentation.
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Gareth Tribello authored
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- May 02, 2017
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Giovanni Bussi authored
[makedoc] I used the same convention as in tutorial 1: - plumedfile for plumed input - verbatim with ">" for shell commands - verbatim with "gnuplot>" for gnuplot commands In addition, I used code{.py} to color python syntax @gtribello just revert if you think there is some problem
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Giovanni Bussi authored
[makedoc]
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