d3_poly.F File Reference

#include "../base/base_uses.f90"

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Modules
module	d3_poly
	Routines to efficiently handle dense polynomial in 3 variables up to a given degree. Multiplication, partial evaluation, affine transform (change of reference system), differentiation are efficiently implemented. some functions accept or return several polynomial together, these have to have all the same size, and are stored one after the other in an unique 1d array. This gives them an easy handling and even seem to be faster than the transposed layout.

Macros
#define	IF_CHECK(x, y)   y

Functions/Subroutines
subroutine, public	d3_poly::init_d3_poly_module ()
	initialization of the cache, is called by functions in this module that use cached values More...
pure integer function, public	d3_poly::poly_size1 (maxgrad)
	size of a polynomial in x up to the given degree More...
pure integer function, public	d3_poly::poly_size2 (maxgrad)
	size of a polynomial in x,y up to the given degree More...
pure integer function, public	d3_poly::poly_size3 (maxgrad)
	size of a polynomial in x,y,z up to the given degree More...
pure integer function, public	d3_poly::grad_size3 (n)
	max grad for a polynom of the given size More...
subroutine, public	d3_poly::poly_affine_t3t (p, m, b, pRes, npoly)
	returns in the polynomials pRes the transpose of the affine transformation x -> m*x+b of p More...
subroutine, public	d3_poly::poly_affine_t3 (p, m, b, pRes, npoly)
	returns in the polynomials pRes the affine transformation x -> m*x+b of p More...
subroutine, public	d3_poly::poly_p_eval3b (p, size_p, x, pRes, size_pRes, npoly, grad, xi)
	low level routine of poly_p_eval3 without checks More...
subroutine, public	d3_poly::poly_padd_uneval3b (p, size_p, x, pRes, size_pRes, npoly, grad, xi)
	low level routine of poly_padd_uneval3 without checks More...
subroutine, public	d3_poly::poly_p_eval2b (p, size_p, x, pRes, size_pRes, npoly, grad, xi)
	low level routine of poly_p_eval2 without checks More...
subroutine, public	d3_poly::poly_padd_uneval2b (p, size_p, x, pRes, size_pRes, npoly, grad, xi)
	low level routine of poly_p_uneval2 without checks More...
subroutine, public	d3_poly::poly_cp2k2d3 (poly_cp2k, grad, poly_d3)
	subroutine that converts from the cp2k poly format to the d3 poly format More...
subroutine, public	d3_poly::poly_d32cp2k (poly_cp2k, grad, poly_d3)
	subroutine that converts from the d3 poly format to the cp2k poly format More...

Variables
integer, parameter, public	d3_poly::max_grad2 = 5
integer, parameter, public	d3_poly::max_grad3 = 3
integer, parameter, public	d3_poly::cached_dim1 = max_grad2 + 1
integer, parameter, public	d3_poly::cached_dim2 = (max_grad2 + 1)*(max_grad2 + 2)/2
integer, parameter, public	d3_poly::cached_dim3 = (max_grad3 + 1)*(max_grad3 + 2)*(max_grad3 + 3)/6

Macro Definition Documentation

IF_CHECK

#define IF_CHECK	(		x,
			y
	)		y