# SOME DESCRIPTIVE TITLE. # Copyright (C) 2022, Baidu Inc # This file is distributed under the same license as the paddle-quantum # package. # FIRST AUTHOR , 2022. # #, fuzzy msgid "" msgstr "" "Project-Id-Version: paddle-quantum \n" "Report-Msgid-Bugs-To: \n" "POT-Creation-Date: 2022-05-17 11:08+0800\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=utf-8\n" "Content-Transfer-Encoding: 8bit\n" "Generated-By: Babel 2.10.1\n" #: ../../source/paddle_quantum.qchem.qchem.rst:2 msgid "paddle\\_quantum.qchem.qchem" msgstr "" #: of paddle_quantum.qchem.qchem:1 msgid "The function for quantum chemistry." msgstr "" #: of paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian:1 msgid "Transfer openfermion form to Paddle Quantum Hamiltonian form." msgstr "" #: of paddle_quantum.qchem.qchem.active_space #: paddle_quantum.qchem.qchem.fermionic_hamiltonian #: paddle_quantum.qchem.qchem.geometry #: paddle_quantum.qchem.qchem.get_molecular_data #: paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian #: paddle_quantum.qchem.qchem.spin_hamiltonian msgid "Parameters" msgstr "" #: of paddle_quantum.qchem.qchem.fermionic_hamiltonian:9 #: paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian:3 #: paddle_quantum.qchem.qchem.spin_hamiltonian:3 msgid "Hamiltonian in openfermion form." msgstr "" #: of paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian:4 msgid "Value less than tol will be ignored. Defaults to 1e-8." msgstr "" #: of paddle_quantum.qchem.qchem.active_space #: paddle_quantum.qchem.qchem.fermionic_hamiltonian #: paddle_quantum.qchem.qchem.geometry #: paddle_quantum.qchem.qchem.get_molecular_data #: paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian #: paddle_quantum.qchem.qchem.spin_hamiltonian msgid "Returns" msgstr "" #: of paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian:6 msgid "Hamiltonian in Paddle Quantum form." msgstr "" #: of paddle_quantum.qchem.qchem.active_space #: paddle_quantum.qchem.qchem.fermionic_hamiltonian #: paddle_quantum.qchem.qchem.geometry #: paddle_quantum.qchem.qchem.get_molecular_data #: paddle_quantum.qchem.qchem.qubitOperator_to_Hamiltonian #: paddle_quantum.qchem.qchem.spin_hamiltonian msgid "Return type" msgstr "" #: of paddle_quantum.qchem.qchem.geometry:1 msgid "Read molecular geometry information." msgstr "" #: of paddle_quantum.qchem.qchem.geometry:3 msgid "" "Including molecular geometry information in string, take H2 as an example" " ``[['H', [-1.68666, 1.79811, 0.0]], ['H', [-1.12017, 1.37343, 0.0]]]``. " "Defaults to None." msgstr "" #: of paddle_quantum.qchem.qchem.geometry:5 msgid "The path of .xyz file. Defaults to None." msgstr "" #: of paddle_quantum.qchem.qchem.geometry msgid "Raises" msgstr "" #: of paddle_quantum.qchem.qchem.geometry:7 msgid "The two optional input cannot be None simultaneously." msgstr "" #: of paddle_quantum.qchem.qchem.geometry:9 #: paddle_quantum.qchem.qchem.get_molecular_data:3 msgid "Molecular geometry information." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:1 msgid "" "Calculate necessary values of molecule, including one-body integrations, " "two-body integrations, and the ground state energy calculated by a chosen" " method" msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:4 msgid "Molecular charge. Defaults to 0." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:5 msgid "Molecular multiplicity. Defaults to 1." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:6 msgid "" "Most common used basis are ‘sto-3g’, ‘6-31g’. For more basis options, " "please refer to " "https://psicode.org/psi4manual/master/basissets_byelement.html#apdx-" "basiselement. Defaults to 'sto-3g'." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:8 msgid "" "Method to calculate ground state energy, including ``scf``, ``fci``. " "Defaults to ``scf``." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:9 msgid "If need to save molecule information as .hdf5 file. Defaults to True." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:10 msgid "" "If need to print ground state energy calculated by chosen method. " "Defaults to True." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:11 msgid "The name of the file to save. Defaults to \"\"." msgstr "" #: of paddle_quantum.qchem.qchem.get_molecular_data:12 msgid "The path of the file to save. Defaults to \".\"." msgstr "" #: of paddle_quantum.qchem.qchem.fermionic_hamiltonian:3 #: paddle_quantum.qchem.qchem.get_molecular_data:14 msgid "A class contains information of the molecule." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:1 msgid "" "Calculate active space by nominating the number of active electrons and " "active orbitals." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:3 msgid "Number of total electrons." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:4 msgid "Number of total orbitals." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:5 #: paddle_quantum.qchem.qchem.fermionic_hamiltonian:5 #: paddle_quantum.qchem.qchem.spin_hamiltonian:5 msgid "Spin multiplicity. Defaults to 1." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:6 #: paddle_quantum.qchem.qchem.fermionic_hamiltonian:6 #: paddle_quantum.qchem.qchem.spin_hamiltonian:7 msgid "" "Number of active electrons, default to the case that all electrons are " "active." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:7 #: paddle_quantum.qchem.qchem.fermionic_hamiltonian:7 #: paddle_quantum.qchem.qchem.spin_hamiltonian:8 msgid "" "Number of active orbitals, default to the case that all orbitals are " "active." msgstr "" #: of paddle_quantum.qchem.qchem.active_space:9 msgid "Index for core orbitals and active orbitals." msgstr "" #: of paddle_quantum.qchem.qchem.fermionic_hamiltonian:1 msgid "Calculate the fermionic hamiltonian of the given molecule." msgstr "" #: of paddle_quantum.qchem.qchem.fermionic_hamiltonian:4 #: paddle_quantum.qchem.qchem.spin_hamiltonian:4 msgid "Path of .hdf5 file of molecule. Defaults to None." msgstr "" #: of paddle_quantum.qchem.qchem.spin_hamiltonian:1 msgid "Generate Hamiltonian in Paddle Quantum form." msgstr "" #: of paddle_quantum.qchem.qchem.spin_hamiltonian:6 msgid "" "Transformation method, default to ``jordan_wigner``, besides, " "``bravyi_kitaev`` is supported. Defaults to ``jordan_wigner``." msgstr "" #: of paddle_quantum.qchem.qchem.spin_hamiltonian:10 msgid "Hamiltonian in Paddle Quantum form" msgstr ""