/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_rho_types.F | 75 tau_r => Null() component 195 IF (ASSOCIATED(rho_struct%tau_r)) THEN 196 DO i = 1, SIZE(rho_struct%tau_r) 197 CALL pw_release(rho_struct%tau_r(i)%pw) 199 DEALLOCATE (rho_struct%tau_r) 258 rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, & argument 266 TYPE(pw_p_type), DIMENSION(:), OPTIONAL, POINTER :: rho_r, drho_r, rho_g, drho_g, tau_r, & local 288 IF (PRESENT(tau_r)) tau_r => rho_struct%tau_r 330 rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, & argument 338 TYPE(pw_p_type), DIMENSION(:), OPTIONAL, POINTER :: rho_r, drho_r, rho_g, drho_g, tau_r, & local [all …]
|
H A D | qs_elf_methods.F | 78 rho_struct_r, tau_g, tau_r, & local 88 …NULLIFY (rho_struct, rho_r, drho_g, drho_r, tau_r, tau_g, pw_env, auxbas_pw_pool, pw_pools, tmp_g,… 96 tau_r=tau_struct_r, & 108 ALLOCATE (tau_r(nspin)) 116 tau_r(ispin)%pw => tau_struct_r(ispin)%pw 118 CALL pw_pool_create_pw(auxbas_pw_pool, tau_r(ispin)%pw, & 124 rho=tau_r(ispin), & 180 elf_kernel = (tau_r(ispin)%pw%cr3d(i, j, k) - f18*norm_drho) + 2.87E-5_dp 189 CALL pw_pool_give_back_pw(auxbas_pw_pool, tau_r(ispin)%pw) 208 DEALLOCATE (tau_r)
|
H A D | qs_rho_methods.F | 161 tau_r=tau_r, & 285 IF (ASSOCIATED(tau_r)) THEN 286 DO i = 1, SIZE(tau_r) 287 CALL pw_release(tau_r(i)%pw) 289 DEALLOCATE (tau_r) 291 ALLOCATE (tau_r(nspins)) 292 CALL qs_rho_set(rho, tau_r=tau_r) 388 tau_r=tau_r, & 494 tau_r=tau_xc_r, & 601 tau_r=tau_r_in, & [all …]
|
H A D | qs_vxc.F | 167 tau_r=tau_struct_r) 655 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g, rho_r, tau_r, vxc_rho, vxc_tau local 675 tau_r=tau_r) 710 rho_g=rho_g, tau=tau_r, exc=exc, &
|
H A D | kg_energy_corrections.F | 328 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_r, tau_r, v_rspace, v_tau_rspace local 403 CALL qs_rho_get(rho, tau_r=tau_r) 429 …evhxc = evhxc + pw_integral_ab(tau_r(ispin)%pw, v_tau_rspace(ispin)%pw)/v_tau_rspace(ispin)%pw%pw_…
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_rho_types.F | 75 tau_r => Null() component 195 IF (ASSOCIATED(rho_struct%tau_r)) THEN 196 DO i = 1, SIZE(rho_struct%tau_r) 197 CALL pw_release(rho_struct%tau_r(i)%pw) 199 DEALLOCATE (rho_struct%tau_r) 258 rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, & argument 266 TYPE(pw_p_type), DIMENSION(:), OPTIONAL, POINTER :: rho_r, drho_r, rho_g, drho_g, tau_r, & local 288 IF (PRESENT(tau_r)) tau_r => rho_struct%tau_r 330 rho_g, drho_g, tau_r, tau_g, rho_r_valid, drho_r_valid, rho_g_valid, & argument 338 TYPE(pw_p_type), DIMENSION(:), OPTIONAL, POINTER :: rho_r, drho_r, rho_g, drho_g, tau_r, & local [all …]
|
H A D | qs_elf_methods.F | 78 rho_struct_r, tau_g, tau_r, & local 88 …NULLIFY (rho_struct, rho_r, drho_g, drho_r, tau_r, tau_g, pw_env, auxbas_pw_pool, pw_pools, tmp_g,… 96 tau_r=tau_struct_r, & 108 ALLOCATE (tau_r(nspin)) 116 tau_r(ispin)%pw => tau_struct_r(ispin)%pw 118 CALL pw_pool_create_pw(auxbas_pw_pool, tau_r(ispin)%pw, & 124 rho=tau_r(ispin), & 180 elf_kernel = (tau_r(ispin)%pw%cr3d(i, j, k) - f18*norm_drho) + 2.87E-5_dp 189 CALL pw_pool_give_back_pw(auxbas_pw_pool, tau_r(ispin)%pw) 208 DEALLOCATE (tau_r)
|
H A D | qs_rho_methods.F | 164 tau_r=tau_r, & 288 IF (ASSOCIATED(tau_r)) THEN 289 DO i = 1, SIZE(tau_r) 290 CALL pw_release(tau_r(i)%pw) 292 DEALLOCATE (tau_r) 294 ALLOCATE (tau_r(nspins)) 295 CALL qs_rho_set(rho, tau_r=tau_r) 396 tau_r=tau_r, & 507 tau_r=tau_xc_r, & 614 tau_r=tau_r_in, & [all …]
|
H A D | qs_vxc.F | 167 tau_r=tau_struct_r) 655 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g, rho_r, tau_r, vxc_rho, vxc_tau local 675 tau_r=tau_r) 710 rho_g=rho_g, tau=tau_r, exc=exc, &
|
H A D | qs_tddfpt2_fhxc.F | 97 rho_g=rho_ia_g, rho_r=rho_ia_r, tau_r=tau_ia_r) 101 rho_r=rho_ia_r_aux_fit, tau_r=tau_ia_r_aux_fit)
|
H A D | energy_corrections.F | 499 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_r, tau_r, v_rspace, v_tau_rspace local 555 CALL qs_rho_get(rho, tau_r=tau_r) 581 evhxc = evhxc + pw_integral_ab(tau_r(ispin)%pw, v_tau_rspace(ispin)%pw)/ & 808 … TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g, rho_r, rhoout_g, rhoout_r, tau_r, & local 862 CALL qs_rho_get(rho, rho_r=rho_r, rho_g=rho_g, tau_r=tau_r) 931 CALL xc_rho_set_update(rho1_set, rhoout_r, rhoout_g, tau_r, needs, & 1037 CALL qs_rho_get(rho, tau_r=tau_r)
|
H A D | qs_tddfpt2_types.F | 738 CALL qs_rho_get(rho_struct_sub, rho_r=rho_ij_r, tau_r=tau_ij_r) 756 auxbas_pw_pool, xc_section=xc_section, tau_r=tau_ij_r2) 763 auxbas_pw_pool, xc_section=xc_section, tau_r=tau_ij_r)
|
H A D | response_solver.F | 342 rhoz_g_aux, rhoz_r, rhoz_r_aux, tau_r, tau_r_aux, v_rspace, v_tau_rspace, v_xc local 543 CALL qs_rho_get(rho, rho_r=rho_r, rho_g=rho_g, tau_r=tau_r) 570 CALL xc_rho_set_update(rho1_set, rhoz_r, rhoz_g, tau_r, needs, & 675 CALL qs_rho_get(rho_aux_fit, rho_r=rho_r_aux, rho_g=rho_g_aux, tau_r=tau_r_aux)
|
H A D | qs_tddfpt2_operators.F | 264 CALL qs_rho_get(rho_ia_struct, rho_g=rho_ia_g, rho_r=rho_ia_r, tau_r=tau_ia_r) 365 CALL qs_rho_get(rho_ia_struct, rho_r=rho1, tau_r=tau)
|
/dports/science/pynn/PyNN-0.10.0/pyNN/neuron/nmodl/ |
H A D | gsfa_grr.mod | 14 RANGE E_s, E_r, tau_s, tau_r 30 tau_r = 1.97 (ms) : time constant of relative refractory mechanism 60 g_r' = -g_r/tau_r
|
/dports/math/jags/JAGS-4.3.0/src/modules/glm/samplers/ |
H A D | HolmesHeld.cc | 147 double tau_r = _outcomes[r]->precision(); in updateAuxiliary() local 164 double Hr = gr * tau_r; // diagonal of hat matrix in updateAuxiliary() 176 double zdelta = (_outcomes[r]->value() - zold) * tau_r; in updateAuxiliary()
|
/dports/science/libxc/libxc-5.0.0/maple/mgga_exc/ |
H A D | mgga_x_rscan.mpl | 24 (* First regularization: tau^u -> tau^u + tau_r. 25 tau_r gets scaled by 2^(2/3) due to the spin scaling. *)
|
/dports/graphics/appleseed/appleseed-2.1.0-beta/src/appleseed/renderer/modeling/light/ |
H A D | sunlight.cpp | 353 RegularSpectrum31f tau_r; in compute_sun_radiance() local 355 tau_r[i] = exp(m * m_k1[i]); in compute_sun_radiance() 437 tau_r[i] * in compute_sun_radiance()
|
/dports/games/flightgear/flightgear-2020.3.11/src/FDM/JSBSim/models/atmosphere/ |
H A D | FGWinds.cpp | 301 tau_r =3*b_w/M_PI/in.V, // eq. (17) in Turbulence() local 318 C_BLr = 1/tau_r/tan(T_V/2/tau_r); // eq. (26) in Turbulence() 353 xi_r = (1 - T_V/tau_r) *xi_r_km1 + M_PI/3/b_w*(xi_v - xi_v_km1); // eq. (35) in Turbulence()
|
/dports/graphics/yafaray/libYafaRay-3.5.1/src/integrators/ |
H A D | SkyIntegrator.cc | 215 colorA_t tau_r = skyTau(stepRay, b_r, alpha_r); in integrate() local 217 float Tr_r = exp(-tau_r.energy()); in integrate()
|
/dports/science/elmerfem/elmerfem-release-9.0/elmerice/Solvers/ |
H A D | SurfaceBoundaryEnthalpy.F90 | 424 tau_r = 0.271+0.706*tau_b 432 Ir = I0 * reflec * tau_r * sin(Slop)*sin(Slop)/2.0 * sinAlpha
|
/dports/science/nest/nest-simulator-3.1/examples/nest/ |
H A D | ArtificialSynchrony.sli | 102 (tau_r [ms]:\t) =only t_refra =
|
/dports/science/qmcpack/qmcpack-3.11.0/external_codes/quantum_espresso/ |
H A D | add_pw2qmcpack_to_qe-6.4.1.diff | 234 + REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) 424 + ALLOCATE (tau_r(3,nat)) 539 + tau_r(1,na)=alat*tau(1,na) 540 + tau_r(2,na)=alat*tau(2,na) 541 + tau_r(3,na)=alat*tau(3,na) 542 + WRITE(iun,100) (tau_r(j,na),j=1,3) 549 + CALL esh5_write_positions(tau_r)
|
H A D | add_pw2qmcpack_to_qe-6.4.diff | 1245 + REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) 1435 + ALLOCATE (tau_r(3,nat)) 1550 + tau_r(1,na)=alat*tau(1,na) 1551 + tau_r(2,na)=alat*tau(2,na) 1552 + tau_r(3,na)=alat*tau(3,na) 1553 + WRITE(iun,100) (tau_r(j,na),j=1,3) 1560 + CALL esh5_write_positions(tau_r)
|
H A D | add_pw2qmcpack_to_qe-6.3.diff | 1249 + REAL(DP), ALLOCATABLE :: tau_r(:,:),psireal(:),eigval(:) !,g_cart(:,:) 1439 + ALLOCATE (tau_r(3,nat)) 1554 + tau_r(1,na)=alat*tau(1,na) 1555 + tau_r(2,na)=alat*tau(2,na) 1556 + tau_r(3,na)=alat*tau(3,na) 1557 + WRITE(iun,100) (tau_r(j,na),j=1,3) 1564 + CALL esh5_write_positions(tau_r)
|