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ai_overlap_debug.F File Reference

Go to the source code of this file.

Modules

module  ai_overlap_debug
 Two-center overlap integrals over Cartesian Gaussian-type functions.

Functions/Subroutines

subroutine, public ai_overlap_debug::init_os_overlap2 (ya, yb, ra, rb)
 Calculation of overlap integrals over Cartesian Gaussian-type functions.
recursive real(dp) function, public ai_overlap_debug::os_overlap2 (an, bn)
 ...

Variables

integer, parameter ai_overlap_debug::lmax = 5
real(dp) ai_overlap_debug::xa
real(dp) ai_overlap_debug::xb
real(dp), dimension(3) ai_overlap_debug::a
real(dp), dimension(3) ai_overlap_debug::b
real(dp), dimension(3) ai_overlap_debug::p
real(dp) ai_overlap_debug::xsi
real(dp) ai_overlap_debug::zeta
real(dp) ai_overlap_debug::ss