[j2e_type] type: character*(32) doc: type of the 2e-Jastrow: [ None | Mu | Mu_Nu | Mur | Boys | Boys_Handy | Qmckl ] interface: ezfio,provider,ocaml default: Mu [j1e_type] type: character*(32) doc: type of the 1e-Jastrow: [ None | Gauss | Charge_Harmonizer | Charge_Harmonizer_AO ] interface: ezfio,provider,ocaml default: None [env_type] type: character*(32) doc: type of envelop for Jastrow: [ None | Prod_Gauss | Sum_Gauss | Sum_Slat | Sum_Quartic ] interface: ezfio, provider, ocaml default: Sum_Gauss [jast_qmckl_type_nucl_num] doc: Number of different nuclei types in QMCkl jastrow type: integer interface: ezfio, provider [jast_qmckl_type_nucl_vector] doc: Nucleus type in QMCkl jastrow type: integer size: (nuclei.nucl_num) interface: ezfio, provider [jast_qmckl_rescale_ee] doc: Rescaling factor for electron-electron in QMCkl Jastrow type: double precision interface: ezfio, provider [jast_qmckl_rescale_en] doc: Rescaling factor for electron-nucleus in QMCkl Jastrow type: double precision size: (jastrow.jast_qmckl_type_nucl_num) interface: ezfio, provider [jast_qmckl_aord_num] doc: Order of polynomials in e-n parameters of QMCkl jastrow type: integer interface: ezfio, provider [jast_qmckl_bord_num] doc: Order of polynomials in e-e parameters of QMCkl jastrow type: integer interface: ezfio, provider [jast_qmckl_cord_num] doc: Order of polynomials in e-e-n parameters of QMCkl jastrow type: integer interface: ezfio, provider [jast_qmckl_c_vector_size] doc: Number of parameters for c_vector type: integer interface: ezfio, provider [jast_qmckl_a_vector] doc: electron-nucleus parameters in QMCkl Jastrow type: double precision size: (jastrow.jast_qmckl_type_nucl_num*jastrow.jast_qmckl_aord_num+jastrow.jast_qmckl_type_nucl_num) interface: ezfio, provider [jast_qmckl_b_vector] doc: electron-electron parameters in QMCkl Jastrow type: double precision size: (jastrow.jast_qmckl_bord_num+1) interface: ezfio, provider [jast_qmckl_c_vector] doc: electron-electron-nucleus parameters in QMCkl Jastrow type: double precision size: (jastrow.jast_qmckl_c_vector_size) interface: ezfio, provider [j1e_size] type: integer doc: number of functions per atom in 1e-Jastrow interface: ezfio,provider,ocaml default: 1 [j1e_coef] type: double precision doc: linear coef of functions in 1e-Jastrow interface: ezfio size: (jastrow.j1e_size,nuclei.nucl_num) [j1e_coef_ao] type: double precision doc: coefficients of the 1-electrob Jastrow in AOs interface: ezfio size: (ao_basis.ao_num) [j1e_coef_ao2] type: double precision doc: coefficients of the 1-electron Jastrow in AOsxAOs interface: ezfio size: (ao_basis.ao_num,ao_basis.ao_num) [j1e_coef_ao3] type: double precision doc: coefficients of the 1-electron Jastrow in AOsxAOs interface: ezfio size: (ao_basis.ao_num,3) [j1e_expo] type: double precision doc: exponenets of functions in 1e-Jastrow interface: ezfio size: (jastrow.j1e_size,nuclei.nucl_num) [env_expo] type: double precision doc: exponents of the envelop for Jastrow interface: ezfio size: (nuclei.nucl_num) [env_coef] type: double precision doc: coefficients of the envelop for Jastrow interface: ezfio size: (nuclei.nucl_num) [murho_type] type: integer doc: type of mu(rho) Jastrow interface: ezfio, provider, ocaml default: 0 [ng_fit_jast] type: integer doc: nb of Gaussians used to fit Jastrow fcts interface: ezfio,provider,ocaml default: 20 [a_boys] type: double precision doc: cutting of the interaction in the range separated model interface: ezfio,provider,ocaml default: 1.0 ezfio_name: a_boys [nu_erf] type: double precision doc: e-e correlation in the core interface: ezfio,provider,ocaml default: 1.0 ezfio_name: nu_erf [jBH_size] type: integer doc: number of terms per atom in Boys-Handy-Jastrow interface: ezfio,provider,ocaml default: 1 [jBH_c] type: double precision doc: coefficients of terms in Boys-Handy-Jastrow interface: ezfio size: (jastrow.jBH_size,nuclei.nucl_num) [jBH_m] type: integer doc: powers of terms in Boys-Handy-Jastrow interface: ezfio size: (jastrow.jBH_size,nuclei.nucl_num) [jBH_n] type: integer doc: powers of terms in Boys-Handy-Jastrow interface: ezfio size: (jastrow.jBH_size,nuclei.nucl_num) [jBH_o] type: integer doc: powers of terms in Boys-Handy-Jastrow interface: ezfio size: (jastrow.jBH_size,nuclei.nucl_num) [jBH_ee] type: double precision doc: parameters of e-e terms in Boys-Handy-Jastrow interface: ezfio size: (nuclei.nucl_num) [jBH_en] type: double precision doc: parameters of e-n terms in Boys-Handy-Jastrow interface: ezfio size: (nuclei.nucl_num)