Used to precalculate the Ewald summation results using pymatgen.

Used to numerically calculate the inner product coefficients of SOAP with GTO radial basis.

Used to numerically calculate the inner product coeffientes of SOAP with polynomial radial basis.

Return the Coulomb matrix for the given systems. Args: system (:class:`ase.Atoms` or list of :class:`ase.Atoms`): One or

Return the ACSF output for the given systems and given centers. Args: system (:class:`ase.Atoms` or list of :class:`ase.Atoms`):

* Returns a function to use in pseudos for buttons * @param {String} type

* Returns a function to use in pseudos for buttons * @param {String} type

* Returns a function to use in pseudos for buttons * @param {String} type

* Returns a function to use in pseudos for buttons * @param {String} type

* Returns a function to use in pseudos for buttons * @param {String} type

* Returns a function to use in pseudos for input types * @param {String} type

* Returns a function to use in pseudos for input types * @param {String} type

* Returns a function to use in pseudos for input types * @param {String} type

* Returns a function to use in pseudos for input types * @param {String} type

* Returns a function to use in pseudos for input types * @param {String} type

Return the numerical derivatives for the given system. This is the default numerical implementation using python. You should overwrite this

Return the numerical derivatives for the given system. This is the default numerical implementation with python. You should overwrite this

Return the derivatives for the given system. Args: system (:class:`ase.Atoms`): Atomic structure. centers (list): Cent