(git:e7e05ae)
ai_overlap3_debug.F File Reference

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Modules

module  ai_overlap3_debug
 Three-center integrals over Cartesian Gaussian-type functions.
 

Functions/Subroutines

subroutine, public ai_overlap3_debug::init_os_overlap3 (ya, yb, yc, rA, rB, rC)
 Calculation of three-center integrals over Cartesian Gaussian-type functions. More...
 
recursive real(dp) function, public ai_overlap3_debug::os_overlap3 (an, cn, bn)
 ... More...
 

Variables

integer, parameter ai_overlap3_debug::lmax = 5
 
real(dp) ai_overlap3_debug::xa
 
real(dp) ai_overlap3_debug::xb
 
real(dp) ai_overlap3_debug::xc
 
real(dp), dimension(3) ai_overlap3_debug::a
 
real(dp), dimension(3) ai_overlap3_debug::b
 
real(dp), dimension(3) ai_overlap3_debug::c
 
real(dp), dimension(3) ai_overlap3_debug::p
 
real(dp), dimension(3) ai_overlap3_debug::g
 
real(dp) ai_overlap3_debug::xsi
 
real(dp) ai_overlap3_debug::zeta
 
real(dp) ai_overlap3_debug::sss