Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
real(kind=dp) | :: | RHOEPSILON | ||||
real(kind=dp) | :: | BETA | ||||
integer | :: | NEL | ||||
integer | :: | BRR(*) | ||||
integer | :: | I_P |
FUNCTION GETRHOEPS(RHOEPSILON, BETA, NEL, BRR, I_P)
Use Determinants, only: get_helement
use DeterminantData, only: write_det
use constants, only: dp
use SystemData, only: BasisFN
use sort_mod
IMPLICIT NONE
INTEGER NEL, NI(NEL), I, I_P
INTEGER BRR(*)
real(dp) RHOEPSILON, BETA, GETRHOEPS
HElement_t(dp) BP, tmp
DO I = 1, NEL
NI(I) = BRR(I)
end do
call sort(nI)
BP = -BETA / I_P
tmp = RHOEPSILON * exp(BP * get_helement(nI, nI, 0))
GETRHOEPS = sqrt(tmp * tmp)
RETURN
END FUNCTION GetRhoEps