"""Plugin docstring. """ __version__ = '0.1' __author__ = 'Psi4 Developer' # Load Python modules from pymodule import * # Load C++ plugin import os import psi4 plugdir = os.path.split(os.path.abspath(__file__))[0] sofile = plugdir + '/' + os.path.split(plugdir)[1] + '.so' psi4.plugin_load(sofile)
# (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License along # with this program; if not, write to the Free Software Foundation, Inc., # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # #@END LICENSE # """Plugin docstring. """ __version__ = '0.1' __author__ = 'Chemical Semantics, Inc.' # Load Python modules from pymodule import * # Load C++ plugin import os import psi4 plugdir = os.path.split(os.path.abspath(__file__))[0] sofile = plugdir + '/' + os.path.split(plugdir)[1] + '.so' psi4.plugin_load(sofile)
import psi4
import re
import os
import math
import warnings
import aliases
from driver import *
from wrappers import *
from molutil import *
def run_prop(name, **kwargs):
r"""Function encoding sequence of PSI module and plugin calls so that
blah can be called via :py:func:`~driver.energy`.
>>> energy('blah')
"""
returnvalue = psi4.plugin('/Users/kevinhannon/Programs/PsiPlugins_psi4public/plugin_prop/plugin_prop.so')
return returnvalue
# Integration with driver routines
procedures['energy']['prop'] = run_prop
psi4.plugin_load('/Users/kevinhannon/Programs/Quantum_Programs/Quantum-Programs/plugin_prop/plugin_prop.so')