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Giovanni Bussi authored
There is a new method for colvars and function, enforceNumericalDerivatives(), which can be used in the constructor so as to enforce numerical derivatives. It should be added to complex colvars for which we do not want to implement numerical derivatives, or can be used at preliminary stage during CV implementation. I also added a check for colvar ENERGY, which cannot be done with numerical derivatives
Giovanni Bussi authoredThere is a new method for colvars and function, enforceNumericalDerivatives(), which can be used in the constructor so as to enforce numerical derivatives. It should be added to complex colvars for which we do not want to implement numerical derivatives, or can be used at preliminary stage during CV implementation. I also added a check for colvar ENERGY, which cannot be done with numerical derivatives
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