- May 04, 2017
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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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Giovanni Bussi authored
@gtribello in this manner it should appear at the beginning of the list
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Gareth Tribello authored
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- Apr 28, 2017
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Giovanni Bussi authored
(master only) [makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
(v2.3) [makedoc]
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Giovanni Bussi authored
I added several examples with plumedfile, so I only push this on master branch.
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Giovanni Bussi authored
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Gareth Tribello authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Related to #229
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Giovanni Bussi authored
Fixed #229
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Giovanni Bussi authored
[makedoc]
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- Apr 27, 2017
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Gareth Tribello authored
This ensures that steinhardt parameters are calculated correctly even if bond vectors run parallel to the z axis
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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
addresses #228
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Giovanni Bussi authored
Allow passing a single trajectory to driver --multi. The same logic is implemented as in IFile tool, that is: - look for file.##.ext - if it does not exist, look for file.ext Here ## is the replica index and .ext the extension of the file Fixed #228
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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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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carlocamilloni authored
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carlocamilloni authored
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Carlo Camilloni authored
[makedoc]
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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
[makedoc]
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