diff --git a/mdevaluate/__init__.py b/mdevaluate/__init__.py index ef59f43..0aa3347 100644 --- a/mdevaluate/__init__.py +++ b/mdevaluate/__init__.py @@ -11,7 +11,7 @@ from . import autosave from . import reader from .logging import logger -__version__ = '2022.1.dev1' +__version__ = '22.5.dev1' def open(directory='', topology='*.tpr', trajectory='*.xtc', cached=False, diff --git a/mdevaluate/reader.py b/mdevaluate/reader.py index e07971a..cc9471e 100755 --- a/mdevaluate/reader.py +++ b/mdevaluate/reader.py @@ -184,7 +184,6 @@ def correct_nojump_matrixes_for_whole(trajectory): def energy_reader(file, energies=None): - read_energy(file, energies=None): """Reads an gromacs energy file and output the data in a pandas DataFrame. Args: file: Filename of the energy file diff --git a/setup.py b/setup.py index 20ccbf5..d541a0c 100644 --- a/setup.py +++ b/setup.py @@ -22,6 +22,6 @@ setup( 'index-xtc = mdevaluate.cli:run' ] }, - version='2022.1.dev1', + version='22.5.dev1', requires=['numpy', 'scipy'], )