Python get_pseudo_do_pseudoの例

コード例 #1

ファイル: qp_convert_qmcpack_to_ezfio.py プロジェクト: scemama/quantum_package

print "#QP -> QMCPACK"

# ___
#  |  ._  o _|_
# _|_ | | |  |_
#

from ezfio import ezfio

import os
import sys
ezfio_path = sys.argv[1]

ezfio.set_file(ezfio_path)

do_pseudo = ezfio.get_pseudo_do_pseudo()
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 filter(lambda x: x != [], l_element))
else:
    print "do_pseudo False"

コード例 #2

ファイル: qp_convert_qmcpack_to_ezfio.py プロジェクト: lorenzotenti/quantum_package

print "#QP -> QMCPACK"

# ___           
#  |  ._  o _|_ 
# _|_ | | |  |_ 
#

from ezfio import ezfio

import os
import sys
ezfio_path = sys.argv[1]

ezfio.set_file(ezfio_path)

do_pseudo = ezfio.get_pseudo_do_pseudo()
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: