- Feb 01, 2016
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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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- Jan 27, 2016
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Giovanni Bussi authored
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- Jan 14, 2016
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Giovanni Bussi authored
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- Jan 08, 2016
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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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- Dec 21, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
This is useful for faster debugging. E.g. to check a Vector just use std::cerr<<v<<"\n";
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- Dec 20, 2015
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Giovanni Bussi authored
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- Oct 20, 2015
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Gareth Tribello authored
[makedoc]
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- Oct 09, 2015
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Giovanni Bussi authored
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- Aug 07, 2015
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Gareth Tribello authored
The kernels were normalised incorrectly and their derivative when the covariance matrix was non-diagonal was computed wrongly. This check affects a number of regtests. analysis/rt0 changes beecause the kernels were normalised incorrectly. basic/rt44, basic/rt48, basic/rt49, basic/rt52 change because the derivatives output in the fes file have changed sign
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- Aug 04, 2015
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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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- Aug 03, 2015
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Giovanni Bussi authored
This makes readdir option consistent with others. THIS REQUIRES ./configure AGAIN!!
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Giovanni Bussi authored
This makes mpi option consistent with others. THIS REQUIRES ./configure AGAIN!!
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- Jul 30, 2015
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Giovanni Bussi authored
Lattice reduction is used in plumed to convert box to its "least skewed" form. I changed a bit the threashold since it was giving problems with high optimization flags. Additionally, I added some warning when too many iterations are performed (which indicates a numerical issue)
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- Jul 28, 2015
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Giovanni Bussi authored
Properly instantiate templates when using high optimization flags with gcc
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- Jul 01, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 26, 2015
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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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- Jun 24, 2015
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Giovanni Bussi authored
I did it only when using the advanced syntax (SWITCH={...}). I changed the input in some regtests to comply with this change.
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- Jun 22, 2015
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Gareth Tribello authored
(cherry picked from commit b6ea36c1)
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Gareth Tribello authored
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- Jun 12, 2015
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Giovanni Bussi authored
This only affects transpose of non-square Tensors, that as far as I know are never used in the code. (cherry picked from commit ec5e599c)
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Giovanni Bussi authored
This only affects transpose of non-square Tensors, that as far as I know are never used in the code.
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- Jun 10, 2015
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Gareth Tribello authored
For reasons lost in the mists of time to set histogram beads you had to pass an empty string. This is no longer necessary so I removed it in order to make this class easier to use
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- Jun 08, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
(cherry picked from commit 2d9ac571)
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 07, 2015
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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- Jun 05, 2015
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Giovanni Bussi authored
Replica suffix is now appended *before* file extension. This is done irrespectively of the specific extension, so also for plumed.dat and traj.xyz. As such, I had to change a lot of regtests
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