Python RMGDatabase.loadSolvationの例

コード例 #1

ファイル: thermoengineTest.py プロジェクト: PengZhang13/RMG-Py

def load():
    tearDown()
    rmg = RMG()#for solvent
    database = RMGDatabase()
    database.loadThermo(os.path.join(settings['database.directory'], 'thermo'))
    database.loadTransport(os.path.join(settings['database.directory'], 'transport'))
    database.loadSolvation(os.path.join(settings['database.directory'], 'solvation'))

コード例 #2

def load():
    tearDown()
    rmg = RMG()#for solvent
    database = RMGDatabase()
    database.loadThermo(os.path.join(settings['database.directory'], 'thermo'))
    database.loadTransport(os.path.join(settings['database.directory'], 'transport'))
    database.loadSolvation(os.path.join(settings['database.directory'], 'solvation'))