- Sep 10, 2021
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Giovanni Bussi authored
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Giovanni Bussi authored
Include plumed- in the fork name
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Giovanni authored
Let GROMACS runtime logs show PLUMED patch active
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Giovanni Bussi authored
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Giovanni Bussi authored
plumed-patch is the script-only version used when cross compiling See 074ce219 See #737
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Mark Abraham authored
Knowing which PLUMED version has patched GROMACS is potentially valuable information for GROMACS and PLUMED users and developers troubleshooting their runs.
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- Sep 09, 2021
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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
See #737
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- Sep 07, 2021
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Giovanni Bussi authored
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Giovanni Bussi authored
It now uses wrapper/Plumed.h code. This required adding an exception in the plumedcheck script to allow inclusion of that header. The result is not just less code duplication but (a) type checking and (b) exception re-throwing
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Adding asmjit was leading C++ quality down to C, since it brings in many alerts.
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- Aug 31, 2021
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
the energy was not correctly updated if the move was accepted
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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 25, 2021
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Giovanni Bussi authored
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- Aug 24, 2021
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
- matheval not needed - fftw is already on by default
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- Aug 22, 2021
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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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- Aug 20, 2021
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Giovanni Bussi authored
stack trace is fully parsed only when accessed with stack() or when PLUMED_STACK_TRACE=yes
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- Aug 19, 2021
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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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