Module with functions to handle derivative descriptors. derivative description are strings have the following form "(rho)(rho)(rhoa)" which means that it is a forth order derivative, twice with respect to rho, once with respect to rhoa and once with respect to drhoa. Possible derivatives are: - rho: total density - norm_drho: norm of the gradient of the total density - rhoa, rhob: alpha and beta spin density (with LSD) - norm_drhoa, norm_drhob: norm of the gradient of the alpha and beta spin density - drhoa_drhob: scalar product between the gradient of rhoa and the grandient of rhob - tau: the local kinetic part - taua, taub: the kinetic part of the different spins

source: xc_derivative_desc.FLoading...

returns an array of 1st order derivative descriptions

returns a unique string for a given derivative string

INTEGER |
:: | max_derivative_desc_length = (max_label_length+2)*max_derivative | |

INTEGER |
:: | max_label_length = 12 |

returns an array of 1st order derivative descriptions

CHARACTER(*), |
INTENT(in) |
:: | deriv_desc | input string which describes the derivative | |

CHARACTER(max_label_length), |
POINTER |
:: | res(:) | ... |

returns a unique string for a given derivative string

CHARACTER(*), |
INTENT(in) |
:: | deriv_desc | input string which describes the derivative and should be standardized | |

CHARACTER(max_derivative_desc_length), |
INTENT(out) |
:: | res | ... |