- Mar 12, 2017
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Giovanni Bussi authored
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- Mar 10, 2017
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marcodelapierre authored
* Marco De La Pierre: added WALKERS_DIR option for WALKERS_MPI * Marco De La Pierre: WALKERS_DIR option for WALKERS_MPI, not for single replica runs * Marco De La Pierre: WALKERS_DIR for multiple walkers metad made general
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- Mar 09, 2017
- Mar 08, 2017
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Giovanni Bussi authored
This is required since intel compiler does not have complete c++11 support but still works correctly. Perhaps we have to find a way to include intel compiler on travis so as to be sure we do not include unsupported c++11 features.
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- Mar 06, 2017
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Giovanni Bussi authored
[makedoc]
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- Mar 05, 2017
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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
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Giovanni Bussi authored
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- Mar 04, 2017
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Gareth Tribello authored
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Gareth Tribello authored
- Mar 03, 2017
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Marco authored
the regtext might produce different results on other architectures so I added a numeric format keyword to the plumed.dat file of both regtexts. Also the test .pdb configurations are improved, being now taken from a trajectory rather than a starting configuration.
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Carlo Camilloni authored
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- Mar 02, 2017
- Feb 28, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
removed mention to a bug that is not actually there
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Giovanni Bussi authored
Added other failing examples for the regtest based on exceptions. [makedoc]
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Giovanni Bussi authored
In case of error with LOAD, the code was returning an error without raising an exception.
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Giovanni Bussi authored
This should make the code slightly fast. Notice that it is now necessary to explicitly sort the watches when printing the log.
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- Feb 27, 2017
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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
These files were related to the original implementation of RMSD. I think they have not been used for years, so I remove them. [makedoc]
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Giovanni Bussi authored
This is done only in the cmd interpreter This should make the code slightly fast.
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Giovanni Bussi authored
[makedoc]
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- Feb 26, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Now all installers use a temporary directory
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