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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_rho_types.F75 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 Dqs_elf_methods.F78 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 Dqs_rho_methods.F161 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 Dqs_vxc.F167 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 Dkg_energy_corrections.F328 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 Dqs_rho_types.F75 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 Dqs_elf_methods.F78 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 Dqs_rho_methods.F164 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 Dqs_vxc.F167 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 Dqs_tddfpt2_fhxc.F97 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 Denergy_corrections.F499 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 Dqs_tddfpt2_types.F738 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 Dresponse_solver.F342 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 Dqs_tddfpt2_operators.F264 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 Dgsfa_grr.mod14 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 DHolmesHeld.cc147 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 Dmgga_x_rscan.mpl24 (* 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 Dsunlight.cpp353 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 DFGWinds.cpp301 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 DSkyIntegrator.cc215 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 DSurfaceBoundaryEnthalpy.F90424 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 DArtificialSynchrony.sli102 (tau_r [ms]:\t) =only t_refra =
/dports/science/qmcpack/qmcpack-3.11.0/external_codes/quantum_espresso/
H A Dadd_pw2qmcpack_to_qe-6.4.1.diff234 + 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 Dadd_pw2qmcpack_to_qe-6.4.diff1245 + 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 Dadd_pw2qmcpack_to_qe-6.3.diff1249 + 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)

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