Home
last modified time | relevance | path

Searched defs:rab2 (Results 1 – 25 of 139) sorted by relevance

123456

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmanybody_eam.F64 REAL(KIND=dp) :: fac, rab2, rab2_max local
174 SUBROUTINE get_rho_eam(eam_a, eam_b, rab2, atom_a, atom_b, rho, fac) argument
176 REAL(dp), INTENT(IN) :: rab2 local
223 SUBROUTINE get_force_eam(rab2, eam_a, eam_b, eam_data, atom_a, atom_b, f_eam) argument
224 REAL(dp), INTENT(IN) :: rab2 local
H A Dhfx_pair_list_methods.F356 REAL(dp) :: AB(3), im_B(3), pgf_max, rab2, Zeta1, & local
480 REAL(KIND=dp) :: rab2 local
569 REAL(KIND=dp) :: rab2 local
659 REAL(KIND=dp) :: rab2 local
H A Dqs_operators_ao.F84 REAL(KIND=dp) :: dab, rab2 local
320 … REAL(dp) :: dab, dumx, dumy, dumz, f0, rab2, xhi, zet local
439 REAL(KIND=dp) :: dab, rab2 local
688 … REAL(dp) :: dab, dumx, dumy, dumz, f0, rab2, xhi, zet local
814 REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 local
1084 REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 local
1347 rab2 local
H A Dqs_epr_hyp.F93 hypfactor, int_radius, rab2, rtemp local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmanybody_eam.F64 REAL(KIND=dp) :: fac, rab2, rab2_max local
174 SUBROUTINE get_rho_eam(eam_a, eam_b, rab2, atom_a, atom_b, rho, fac) argument
176 REAL(dp), INTENT(IN) :: rab2 local
223 SUBROUTINE get_force_eam(rab2, eam_a, eam_b, eam_data, atom_a, atom_b, f_eam) argument
224 REAL(dp), INTENT(IN) :: rab2 local
H A Dhfx_pair_list_methods.F356 REAL(dp) :: AB(3), im_B(3), pgf_max, rab2, Zeta1, & local
480 REAL(KIND=dp) :: rab2 local
569 REAL(KIND=dp) :: rab2 local
659 REAL(KIND=dp) :: rab2 local
H A Dqs_operators_ao.F84 REAL(KIND=dp) :: dab, rab2 local
320 … REAL(dp) :: dab, dumx, dumy, dumz, f0, rab2, xhi, zet local
439 REAL(KIND=dp) :: dab, rab2 local
688 … REAL(dp) :: dab, dumx, dumy, dumz, f0, rab2, xhi, zet local
814 REAL(KIND=dp) :: alpha, dab, Lxo2, Lyo2, Lzo2, rab2 local
1084 REAL(KIND=dp) :: dab, Lxo2, Lyo2, Lzo2, rab2 local
1347 rab2 local
H A Dqs_epr_hyp.F93 hypfactor, int_radius, rab2, rtemp local
/dports/science/xtb/xtb-6.4.1/src/
H A Diniq.f9040 ! xyz :: coordinates in Bohr
45 ! cn :: coordination number
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/
H A Dbasic_types.F7 REAL(KIND=dp) :: zeta,zetb,ra(3),rab(3),rab2 component
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/
H A Dbasic_types.F7 REAL(KIND=dp) :: zeta,zetb,ra(3),rab(3),rab2 component
/dports/science/tinker/tinker/source/
H A Dgeometry.f30 real*8 rab2,rcb2,rabc local
H A Debond2.f32 real*8 rab,rab2 local
H A Deangang.f43 real*8 rab2,rcb2 local
H A Deopbend.f46 real*8 rab2,rcb2 local
H A Deangang3.f50 real*8 rab2,rcb2 local
H A Demm3hb.f109 real*8 rab2,rab,rcb2 local
521 real*8 rab2,rab,rcb2 local
854 real*8 rab2,rab,rcb2 local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_moments.F169 fx, fy, fz, k2, kdp, rab2, s, zetp local
814 fy, fz, rab2, zetp local
1343 REAL(KIND=dp) :: dab, rab2 local
1410 REAL(KIND=dp) :: dab, rab(3), rab2 local
1496 REAL(KIND=dp) :: dab, rab(3), rab2 local
H A Dai_angmom.F60 REAL(KIND=dp) :: dab, f0, f1, f2, f3, fx, fy, fz, rab2, & local
H A Dai_verfc.F137 zetc, rpgfc, zc, cerf, rab, rab2, rac, rac2, rbc2, vabc, verf, vnuc, f, & argument
146 REAL(KIND=dp), INTENT(IN) :: rab2 local
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_moments.F169 fx, fy, fz, k2, kdp, rab2, s, zetp local
814 fy, fz, rab2, zetp local
1343 REAL(KIND=dp) :: dab, rab2 local
1410 REAL(KIND=dp) :: dab, rab(3), rab2 local
1496 REAL(KIND=dp) :: dab, rab(3), rab2 local
H A Dai_angmom.F60 REAL(KIND=dp) :: dab, f0, f1, f2, f3, fx, fy, fz, rab2, & local
H A Dai_verfc.F137 zetc, rpgfc, zc, cerf, rab, rab2, rac, rac2, rbc2, vabc, verf, vnuc, f, & argument
146 REAL(KIND=dp), INTENT(IN) :: rab2 local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Ds_contract_shg.F68 REAL(KIND=dp) :: a, b, rab2, xhi, zet local
133 prefac, rab2, sqrt_pi3, sqrt_zet, & local
365 prefac, rab2, sqrt_pi3, sqrt_zet, & local
609 REAL(KIND=dp) :: a, b, dummy, prefac, rab2, T, xhi, zet local
671 … REAL(KIND=dp) :: a, Arg, b, comega, prefac, rab2, T, xhi, & local
735 … REAL(KIND=dp) :: a, b, comega, comegaT, prefac, rab2, T, & local
801 rab2, T, xeta, xhi, zet local
871 … REAL(KIND=dp) :: a, b, eta, expT, oeta, prefac, rab2, T, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Ds_contract_shg.F68 REAL(KIND=dp) :: a, b, rab2, xhi, zet local
133 prefac, rab2, sqrt_pi3, sqrt_zet, & local
365 prefac, rab2, sqrt_pi3, sqrt_zet, & local
609 REAL(KIND=dp) :: a, b, dummy, prefac, rab2, T, xhi, zet local
671 … REAL(KIND=dp) :: a, Arg, b, comega, prefac, rab2, T, xhi, & local
735 … REAL(KIND=dp) :: a, b, comega, comegaT, prefac, rab2, T, & local
801 rab2, T, xeta, xhi, zet local
871 … REAL(KIND=dp) :: a, b, eta, expT, oeta, prefac, rab2, T, & local

123456