Interface: Utility
This module contains helpers required for calculating integrals with libcint.
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tad_libcint.interface.utils.NDIM = 3
Number of cartesian dimensions.
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tad_libcint.interface.utils.int2ctypes(a)[source]
Convert a Python integer to a ctypes’ integer.
- Parameters:
a (int) – Integer to convert.
- Returns:
Ctypes’ integer.
- Return type:
ctypes.c_int
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tad_libcint.interface.utils.np2ctypes(a)[source]
Convert a numpy array to the corresponding ctypes.
- Parameters:
a (np.ndarray) – Array to convert.
- Returns:
Converted array.
- Return type:
ctypes.c_void_p