- Sep 28, 2018
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Giovanni Bussi authored
Not used now, but might be used in the future to better translate exceptions.
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- Sep 27, 2018
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Giovanni Bussi authored
When using the C++ interface, this change remaps exception within plumed to a class that inherits from std::runtime_error. This allows them to be catched also from an MD code linked to a different C++ library. I also removed some cpp options, I think it is better to enforce exceptions to be managed in this way.
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- Sep 25, 2018
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Giovanni Bussi authored
Returned argument should be last.
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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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Vojtech Spiwok authored
* flying Gaussian added * Update MetaD.cpp Making plumedcheck happy * Update MetaD.cpp Making plumedcheck happy again * Update MetaD.cpp Making plumedcheck finally happy * regtest for flying Gaussian * Update MetaD.cpp Adding flying Gaussian with parallel tempering. * Update MetaD.cpp * Flying Gaussian with Parallel tempering * Added PT to FG * PT for FG * PT for FG * PT for FG * pokus * Making patch to know from plumed.dat * Make patch know from plumed.dat * Make patch know from plumed.dat * Make patch to know from plumed.dat * Update GREX.cpp * Update GREX.cpp * Update PlumedMain.h * Update GREX.cpp * Update GREX.cpp * Update GREX.cpp * Update repl_ex.cpp * PTFG * oprava * blbost * blbost2 * flying gaussian with parallel tempering * PTFG * just Flying Gaussian without PT * just Flying Gaussian without PT 2
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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- Sep 22, 2018
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Giovanni Bussi authored
- expand some macros - order methods
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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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- Sep 21, 2018
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Giovanni authored
New Plumed.h file, with more features (see #385)
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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
Closes #354
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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
Should be more robust when combining different libraries.
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- Sep 20, 2018
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carlocamilloni authored
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- Sep 16, 2018
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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
- Added macros to simplify addition of new functions - Added all trigonometric functions that were present in libmatheval - Added atan2
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Giovanni Bussi authored
- Added many points to rt-lepton test - Added nandelta() function - Made definitions of delta(0) and step(0) equal to matheval Works both with and without ASMJIT
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Giovanni Bussi authored
Makes it easier to compare regtets on different machines.
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Giovanni Bussi authored
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Giovanni authored
fixed a few typos
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Giovanni authored
Atomic units
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Omar Valsson authored
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