(git:9ccafda)
Loading...
Searching...
No Matches
ai_overlap3_debug.F File Reference

Go to the source code of this file.

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.
recursive real(dp) function, public ai_overlap3_debug::os_overlap3 (an, cn, bn)
 ...

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