| H A D | qmmm_gpw_forces.F | 803 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_forces_with_gaussian_LG', & argument
806 INTEGER :: handle, i, ii1, ii2, ii3, ii4, ij1, ij2, ij3, ij4, ik1, ik2, ik3, ik4, Imm, &
807 IndMM, IRadTyp, ivec(3), j, k, LIndMM, my_i, my_j, my_k, myind, npts(3)
808 INTEGER, DIMENSION(2, 3) :: bo, gbo
809 REAL(KIND=dp) :: a1, a2, a3, abc_X(4,4), abc_X_Y(4), b1, b2, b3, c1, c2, c3, d1, d2, d3, &
810 dr1, dr1c, dr1i, dr2, dr2c, dr2i, dr3, dr3c, dr3i, dvol, e1, e2, e3, f1, f2, f3, fac, &
811 ft1, ft2, ft3, g1, g2, g3, h1, h2, h3, p1, p2, p3, q1, q2, q3, qt, r1, r2, r3, rt1, rt2, &
812 rt3, rv1, rv2, rv3, s1, s1d, s1o, s2, s2d, s2o, s3, s3d, s3o, s4, s4d, s4o, &
813 sph_chrg_factor, t1, t1d, t1o, t2, t2d, t2o, t3, t3d, t3o, t4, t4d, t4o, u1, u2, u3, v1, &
814 v1d, v1o, v2, v2d, v2o, v3, v3d, v3o, v4, v4d, v4o, xd1, xd2, xd3, xs1, xs2, xs3
[all …]
|