semi_empirical_int_debug.h File Reference

#include "cp_common_uses.h"

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Functions
!CP2K error USE f77_blas USE &semi_empirical_type IMPLICIT NONE	TYPE (semi_empirical_type)
!CP2K error USE f77_blas USE &semi_empirical_type IMPLICIT NONE sepj	REAL (KIND=dp)
!CP2K error USE f77_blas USE &semi_empirical_type IMPLICIT NONE sepj	DIMENSION (3)
Variables
!CP2K	__pad2__
!CP2K	sepj
!CP2K	rjiv
!CP2K	ij_matrix
!CP2K	do_invert
!CP2K error USE f77_blas USE	kinds
!CP2K error USE f77_blas USE	ONLY

---

Function Documentation

! CP2K error USE f77_blas USE & semi_empirical_type IMPLICIT NONE sepj DIMENSION

(

3

)

! CP2K error USE f77_blas USE & semi_empirical_type IMPLICIT NONE sepj REAL

(

KIND

= dp

)

! CP2K error USE f77_blas USE & semi_empirical_type IMPLICIT NONE TYPE

(

semi_empirical_type

)

---

Variable Documentation

! CP2K __pad2__

Definition at line 13 of file semi_empirical_int_debug.h.

! CP2K do_invert

Definition at line 13 of file semi_empirical_int_debug.h.

Referenced by semi_empirical_int_ana::rotint_ana(), semi_empirical_int_utils::rotmat(), and semi_empirical_int_ana::rotnuc_ana().

! CP2K ij_matrix

Definition at line 13 of file semi_empirical_int_debug.h.

Referenced by semi_empirical_int_utils::rot_2el_2c_first().

! CP2K error USE f77_blas USE kinds

Definition at line 13 of file semi_empirical_int_debug.h.

! CP2K error USE f77_blas USE ONLY

Definition at line 13 of file semi_empirical_int_debug.h.

! CP2K rjiv

Definition at line 13 of file semi_empirical_int_debug.h.

! CP2K sepj

Definition at line 13 of file semi_empirical_int_debug.h.