- Jun 25, 2021
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andrea-arsiccio authored
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- Jun 22, 2021
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 21, 2021
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Giovanni authored
changelog cc: @andrea-arsiccio
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Giovanni authored
Module for the computation of the solvent accessible surface area of proteins
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andrea-arsiccio authored
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- Jun 19, 2021
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andrea-arsiccio authored
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andrea-arsiccio authored
Add module for the calculation of SASA updated with new namespace and no need to read external files
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- Jun 18, 2021
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andrea-arsiccio authored
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andrea-arsiccio authored
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andrea-arsiccio authored
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andrea-arsiccio authored
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andrea-arsiccio authored
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- Jun 15, 2021
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andrea-arsiccio authored
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andrea-arsiccio authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
thanks to @IsabellGrothaus
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 14, 2021
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Giovanni Bussi authored
Since this is currently disabled by default, I need to enable it in this test. Notice that if plumed_cmd and plumed_gcmd are macros (instead of functions) templates cannot be used anymore in this test. Tests are thus rewritten with macros.
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Giovanni Bussi authored
When using plumed_cmd from C++, it can: - map exceptions - perform typechecking This is temporarily disabled by default. I want to double check gromacs patches before enabling it.
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- Jun 11, 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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Chang Junhan authored
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- Jun 10, 2021
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Giovanni Bussi authored
another suppression that should be double checked
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
detected by cppcheck 2.4.1
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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 authored
Typesafe interface
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Giovanni Bussi authored
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Giovanni Bussi authored
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