Exemplos de get_determinants_n_det em Python

Exemplo n.º 1

Arquivo: qp_convert_qmcpack_to_ezfio.py Projeto: scemama/quantum_package

    print "do_pseudo True"
    from qp_path import QP_ROOT

    l_ele_path = os.path.join(QP_ROOT, "data", "list_element.txt")
    with open(l_ele_path, "r") as f:
        data_raw = f.read()

    l_element_raw = data_raw.split("\n")
    l_element = [element_raw.split() for element_raw in l_element_raw]
    d_z = dict(
        (abr, z) for (z, abr, ele, _) in filter(lambda x: x != [], l_element))
else:
    print "do_pseudo False"

try:
    n_det = ezfio.get_determinants_n_det()
except IOError:
    n_det = 1

if n_det == 1:
    print "multi_det False"
else:
    print "multi_det True"

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def list_to_string(l):

Exemplo n.º 2

Arquivo: qp_convert_qmcpack_to_ezfio.py Projeto: lorenzotenti/quantum_package

if do_pseudo:
    print "do_pseudo True"
    from qp_path import QP_ROOT

    l_ele_path = os.path.join(QP_ROOT,"data","list_element.txt")
    with open(l_ele_path, "r") as f:
        data_raw = f.read()

    l_element_raw = data_raw.split("\n")
    l_element = [element_raw.split() for element_raw in l_element_raw]
    d_z = dict((abr, z) for (z, abr, ele) in l_element)
else:
    print "do_pseudo False"

try:
    n_det = ezfio.get_determinants_n_det()
except IOError:
    n_det = 1

if n_det == 1:
    print "multi_det False"
else:
    print "multi_det True"

#             
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def list_to_string(l):
    return " ".join(map(str, l))