- Apr 02, 2018
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Giovanni Bussi authored
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- Apr 01, 2018
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Giovanni Bussi authored
This is better with autocompletion. E.g. if I set alias plumed="plumed --no-mpi" autocomplation would have not worked since it would have seen --no-mpi twice.
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- Mar 28, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
should have gone with 296964c2
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
I made it more similar to the official one so that it is easy to see differences
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Giovanni Bussi authored
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Giovanni Bussi authored
Currently, a lot of dummy headers are installed such as plumed/core/tools/Tools.h in order to allow including tools from core. I made a script that edits the include files when they are installed so that the extra files are not required.
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Giovanni Bussi authored
Use insertion operators to allow more explicit messages: throw Exception() <<"check this vector "<<v; plumed_error() <<"check this vector "<<v; The change is completely backward compatible, so the following still works: throw Exception("message"); plumed_merror("message"); However, the layout of the error message was slightly modified
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- Mar 26, 2018
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Giovanni Bussi authored
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- Mar 23, 2018
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carlocamilloni authored
- more flexibility for sigma_min/max - make more uniform use of sigmaMean also in the restart file - JC: reorganised
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carlocamilloni authored
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- Mar 22, 2018
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Giovanni Bussi authored
Fixes #332
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
it includes an additional modification to keep multisim in sync when using plumed
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni 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
When doing plumed patch -e gromacs2016.5 a match with e.g. gromacs2016.4 will be accepted (and issue a WARNING). Useful for automatized patching procedures. For instance, in gromacs-plumed package of MacPorts it won't be necessary to synchronize the Portfile with the exact plumed version.
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Giovanni Bussi authored
When doing plumed patch -e gromacs2016.5 a match with e.g. gromacs2016.4 will be accepted (and issue a WARNING). Useful for automatized patching procedures. For instance, in gromacs-plumed package of MacPorts it won't be necessary to synchronize the Portfile with the exact plumed version.
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- Mar 21, 2018
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Giovanni Bussi authored
# Conflicts: # regtest/basic/rt-maxent-4/config # regtest/basic/rt-maxent-5/config # regtest/basic/rt63c-mpi/config # src/cltools/Driver.cpp
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Giovanni Bussi authored
See #245
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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 20, 2018
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carlocamilloni authored
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Benjamin Pampel authored
* Minor fixes in ves-metad tutorial Changed wrong file dependency in a gnuplot file, some clarification in the documentation * Fixes to ves1 tutorial Removed unnecessary file Corrected syntax of example code Changed gnuplot file for consistency * Fix in ves-kinetics tutorial Keyword HEIGHT does not allow multiple values
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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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