- Feb 01, 2016
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Carlo Camilloni authored
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Carlo Camilloni authored
Matrix: removed warnings
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Carlo Camilloni authored
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Carlo Camilloni authored
and openMP (this function should be rewritten from scratch)
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Jan 30, 2016
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Carlo Camilloni authored
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Gareth Tribello authored
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- Jan 29, 2016
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
map is now a global static object
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Giovanni Bussi authored
Enum list and word map are now generated with a script. To add a new command it is sufficient to add a case command as: case PIPPO: // cmd pippo It is related to #182, though I let the issue open since I think we should automatize also the cmd documentation.
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Giovanni Bussi authored
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- Jan 28, 2016
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Giovanni Bussi authored
This regtest was located in the wrong directory
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Giovanni Bussi authored
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Giovanni Bussi authored
This regtest is failing on travis from time to time, in an irreproducible way. I took note of the problem at issue #183 I temporarily change this regtest by: 1. moving COLVAR.reference to COLVAR.reference.dontcheck 2. adding HILLS.reference so that at least one file is checked. Notice that this is not a solution of the problem, just a way to avoid random failures on travis. As soon as someone is willing to fix this, just put COLVAR.reference back in place and push it to travis
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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- Jan 27, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
Allow for splitting of performCalc() into performCalcNoUpdate() and update() This makes it possible to call performCalc() multiple times per step
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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
Before this fix, using cmd() with an erroneous string was triggering no error. Now this is fixed. Notice that this is an old bug (introduced in 0a46f15d). It should be harmless when using MD codes with proper interfaces, but could be very dangerous if there is a typo in a cmd string.
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Giovanni Bussi authored
Before this fix, using cmd() with an erroneous string was triggering no error. Now this is fixed. Notice that this is an old bug (introduced in 0a46f15d). It should be harmless when using MD codes with proper interfaces.
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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
(actually, this was to test citations but the log file is not checked)
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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
Allows to feed plumed with a single input line directly from the MD code.
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- Jan 26, 2016
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Carlo Camilloni authored
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Gareth Tribello authored
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