Documentation for module ai_os_rr

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source: ai_os_rr.F

public Subroutines/Functions:

Calculation of the Obara-Saika reccurence relation for 1/r_C
SUBROUTINE
os_rr_ovlp (rap, la_max, rbp, lb_max, zet, ldrr, rr)
Calculation of the basic Obara-Saika reccurence relation

SUBROUTINEos_rr_coul(rap, la_max, rbp, lb_max, rcp, zet, ldrr1, ldrr2, rr)^

Calculation of the Obara-Saika reccurence relation for 1/r_C

Arguments:
 REAL(dp), INTENT(in) :: rap(3) ... INTEGER, INTENT(in) :: la_max ... REAL(dp), INTENT(in) :: rbp(3) ... INTEGER, INTENT(in) :: lb_max ... REAL(dp), INTENT(in) :: rcp(3) ... REAL(dp), INTENT(in) :: zet ... INTEGER, INTENT(in) :: ldrr1 ... INTEGER, INTENT(in) :: ldrr2 ... REAL(dp), INTENT(inout) :: rr(0:ldrr1-1,ldrr2,*) ...

SUBROUTINEos_rr_ovlp(rap, la_max, rbp, lb_max, zet, ldrr, rr)^

Calculation of the basic Obara-Saika reccurence relation

Arguments:
 REAL(dp), INTENT(in) :: rap(3) ... INTEGER, INTENT(in) :: la_max ... REAL(dp), INTENT(in) :: rbp(3) ... INTEGER, INTENT(in) :: lb_max ... REAL(dp), INTENT(in) :: zet ... INTEGER, INTENT(in) :: ldrr ... REAL(dp) :: rr(0:ldrr-1,0:ldrr-1,3) ...