Home
last modified time | relevance | path

Searched defs:makeCoulE (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dsemi_empirical_int_gks.F570 SUBROUTINE makeCoulE(RAB, sepi, sepj, Coul, se_int_control) subroutine
576 CHARACTER(len=*), PARAMETER :: routineN = 'makeCoulE', routineP = moduleN//':'//routineN argument
578 … INTEGER :: gpt, imA, imB, k1, k2, k3, k4, lp, mp, np
580 REAL(KIND=dp) :: a2, ACOULA, ACOULB, alpha, cc, d1, d1f(3), d2, d2f(3, 3), d3, d3f(3, 3, 3), &
581 d4, d4f(3, 3, 3, 3), f, ff, kr, kr2, r1, r2, r3, r5, r7, r9, rr, ss, w, w0, w1, w2, w3, &
582 w4, w5
583 REAL(KIND=dp), DIMENSION(3) :: kk, v local
584 REAL(KIND=dp), DIMENSION(3, 3, 45) :: M2A, M2B
585 REAL(KIND=dp), DIMENSION(3, 45) :: M1A, M1B
586 REAL(KIND=dp), DIMENSION(45) :: M0A, M0B
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dsemi_empirical_int_gks.F570 SUBROUTINE makeCoulE(RAB, sepi, sepj, Coul, se_int_control) subroutine
576 CHARACTER(len=*), PARAMETER :: routineN = 'makeCoulE', routineP = moduleN//':'//routineN argument
578 … INTEGER :: gpt, imA, imB, k1, k2, k3, k4, lp, mp, np
580 REAL(KIND=dp) :: a2, ACOULA, ACOULB, alpha, cc, d1, d1f(3), d2, d2f(3, 3), d3, d3f(3, 3, 3), &
581 d4, d4f(3, 3, 3, 3), f, ff, kr, kr2, r1, r2, r3, r5, r7, r9, rr, ss, w, w0, w1, w2, w3, &
582 w4, w5
583 REAL(KIND=dp), DIMENSION(3) :: kk, v local
584 REAL(KIND=dp), DIMENSION(3, 3, 45) :: M2A, M2B
585 REAL(KIND=dp), DIMENSION(3, 45) :: M1A, M1B
586 REAL(KIND=dp), DIMENSION(45) :: M0A, M0B
[all …]