qmmd.datasets

Functions

getExampleChargePath()	Get path to chargesExample.txt.
getExampleEnergyLevellerInputPath()	Get path to energyLevellerExample.inp.
genExampleXYZs(targetDirPath)	Generates example xyz files at specified directory path.

Module Contents

qmmd.datasets.getExampleChargePath()

Get path to chargesExample.txt.

Returns:

Path to file.

Return type:

str

qmmd.datasets.getExampleEnergyLevellerInputPath()

Get path to energyLevellerExample.inp.

Returns:

Path to file.

Return type:

str

qmmd.datasets.genExampleXYZs(targetDirPath)

Generates example xyz files at specified directory path.