hfx_contraction_methods.F File Reference

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

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Modules
module	hfx_contraction_methods
	Contains routines for contraction without dgemms. PLEASE DO NOT MODIFY. \notes Contains specific routines for contraction. The compiler flag -D__MAX_CONTR defines the maximum angular momentum up to which specialized code will be used. Default setting is d-functions. Increasing -D__MAX_CONTR produces faster code but might overburden the optimization capabilities of some poor compilers. This file contains specific code up to g-functions. If you need more look at cp2k/tools/hfx_tools/contraction/.

Macros
#define	__MAX_CONTR   2

Functions/Subroutines
subroutine, public	hfx_contraction_methods::contract (ncoa, ncob, ncoc, ncod, nsoa, nsob, nsoc, nsod, n_a, n_b, n_c, n_d, nl_a, nl_b, nl_c, nl_d, work, sphi_a, sphi_b, sphi_c, sphi_d, primitives, buffer1, buffer2)
	... More...

Macro Definition Documentation

__MAX_CONTR

#define __MAX_CONTR   2