Merge branch 'develop'

Author: singularitti

qha/__init__.py

@@ -10,4 +10,4 @@
 __credits__ = {'Renata M. M. Wentzcovitch': '[email protected]'}
 __date__ = 'Feb 17, 2018'
 __maintainer__ = 'Tian Qin, Qi Zhang'
-__version__ = '1.0.13'
+__version__ = '1.0.14'

qha/readers/__init__.py qha/basic_io/__init__.pyqha/readers/__init__.py renamed to qha/basic_io/__init__.py

@@ -21,8 +21,8 @@
 import qha.multi_configurations.same_phonon_dos as same_phonon_dos
 import qha.tools
 from qha.grid_interpolation import FinerGrid
-from qha.out import save_to_output
-from qha.readers import read_input
+from qha.basic_io.out import save_to_output
+from qha.basic_io import read_input
 from qha.single_configuration import free_energy
 from qha.thermodynamics import *
 from qha.type_aliases import Vector

qha/input_maker.py qha/basic_io/input_maker.pyqha/input_maker.py renamed to qha/basic_io/input_maker.py

@@ -7,7 +7,7 @@
 """
 
 from qha.cli.handler import QHACommandHandler
-from qha.input_maker import FromQEOutput
+from qha.basic_io.input_maker import FromQEOutput
 
 
 class QHAConverter(QHACommandHandler):

qha/out.py qha/basic_io/out.pyqha/out.py renamed to qha/basic_io/out.py

@@ -12,7 +12,7 @@
 import time
 
 from qha.calculator import Calculator, SamePhDOSCalculator, DifferentPhDOSCalculator
-from qha.out import save_x_tp, save_x_tv, save_to_output, make_starting_string, make_tp_info, make_ending_string
+from qha.basic_io.out import save_x_tp, save_x_tv, save_to_output, make_starting_string, make_tp_info, make_ending_string
 from qha.settings import from_yaml
 from .handler import QHACommandHandler
 

qha/readers/read_input.py qha/basic_io/read_input.pyqha/readers/read_input.py renamed to qha/basic_io/read_input.py

@@ -6,7 +6,7 @@
 
 import numpy as np
 
-from qha.readers.read_input import read_input
+from qha.basic_io.read_input import read_input
 
 
 class TestReadInput(unittest.TestCase):

qha/calculator.py

@@ -60,7 +60,7 @@ def find_version(*file_paths):
           'qha',
           'qha.multi_configurations',
           'qha.cli',
-          'qha.readers',
+          'qha.basic_io',
       ],
       entry_points={
           'console_scripts': [