- Jun 04, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
Conflicts: configure
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Giovanni Bussi authored
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- Jun 03, 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
This fixes an issue on periodicity of values. Now all the values are brought within their periodic boundaries.
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Giovanni Bussi authored
I do it since an error in the last digit was making the *next* commit fail. I first change the regtest to make it clear that it is not changing
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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
travis is very picky and does not understand "allow_failure" if there is a wrong number of spaces
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Conflicts: .travis.yml
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Giovanni Bussi authored
cppcheck is installed from its github when needed Notice that the travis test doing cppcheck also does a normal g++ check. I did to avoid too many if's in the travis script, but should be fixed perhaps so that the last travis test only does cppcheck I set this test as "allowed_failures", so that is just gives a warning now
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Giovanni Bussi authored
I invoke cppcheck from an external script that makes the reporting better. In particular, I show "fatal" errors at the end, where "fatal" means all reported issues with the exclusion of "style" issues and issues in molfile sourcecode.
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- May 26, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
(goes with 9e7b8c15)
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Giovanni Bussi authored
Before this fix, the PLUMED_KERNEL env var was erroneously not containing the LIBSUFFIX value. This fix is relevant only if one use at the same time PLUMED_LIBSUFFIX *and* loads the module file, which is unlikely.
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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
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Related to: e1b845b4 Now the type is defined with a typedef so that it is easier to change it. I also set the type to size_t instead of unsigned long long. This should be more portable.
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- May 25, 2015
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Davide Branduardi authored
removed condition that seemed to create very large support in sum hills calculation and resulting into a very large computational time. Credits to Carolyn Phillips from the mailing list.
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- May 21, 2015
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Massimiliano Bonomi authored
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- May 20, 2015
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Carlo Camilloni authored
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Carlo Camilloni authored
gromacs-5.1.0 beta patch
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- May 19, 2015
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Giovanni Bussi authored
[makedoc]
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- May 18, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
This reverts commit b148b715.
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Giovanni Bussi authored
This should go with a94b94b2
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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- May 17, 2015
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Giovanni Bussi authored
Similarly to what happens in Colvar class, I made also for ActionWithVirtualAtom a method setBoxDerivativesNoPbc that can be used to set the virial contribution when the Pbc have not been used in the calculation of derivatives. This should make the addition of new vatom actions easier
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