- Feb 27, 2016
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Gareth Tribello authored
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- Feb 25, 2016
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Giovanni Bussi authored
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- Feb 24, 2016
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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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- Feb 17, 2016
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Giovanni Bussi authored
This is related to the closed issue #162 I think that with standard usage of PLUMED all the actions should be active at step zero, and so all the masses and charges should be requested to codes like NAMD or OPENMM. Anyway,this fix will double check for it adding an overhead only at the first simulation step.
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Giovanni Bussi authored
Some time ago I made one build allowed to fail. After c9e9c366 (see also #183) it looks like the issue is solved, so I put the build back in place.
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- Feb 16, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
for DEBUG logActivity and logRequestedAtoms
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
There was an assert checking that a stopwatch is not started more then once. I replaced it with a counter that, if a stopwatch is started N times, ignores the first N-1 pause signals. This makes it possible to used Plumed.cmd recursively. In practical terms, this makes it possible to use DEBUG logRequestedAtoms that was previosuly crashing the code.
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- Feb 14, 2016
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Gareth Tribello authored
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- Feb 12, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Feb 08, 2016
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Carlo Camilloni authored
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- Feb 07, 2016
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Gareth Tribello authored
Fixed small bug in moments vessel - this would not work if you were calculating MOMENTS and MEAN simultaneously
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- Feb 01, 2016
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Giovanni Bussi authored
Related to #183
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Giovanni Bussi authored
This barrier is apparently useless since it comes just before a Bcast. Anyway, it looks like it is solving an issue that appeared on TRAVIS (at least on my laptop) so I add it here. Related to #183
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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 28, 2016
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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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- Jan 27, 2016
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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
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jan 18, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
now remove trailing "/" which could lead to troubles in "#ifdef"
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Jan 15, 2016
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Giovanni Bussi authored
[makedoc]
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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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