espaloma.mm.nonbonded.lj_9_6

espaloma.mm.nonbonded.lj_9_6(x, sigma, epsilon)

Lennard-Jones 9-6.

Parameters:

• x (torch.Tensor, shape=(batch_size, 1) or (batch_size, batch_size, 1))

• sigma (torch.Tensor, shape=(batch_size, 1) or (batch_size, batch_size, 1))

• epsilon (torch.Tensor,) – shape=(batch_size, 1) or (batch_size, batch_size, 1)

Returns:

u

Return type:

torch.Tensor, shape=(batch_size, 1) or (batch_size, batch_size, 1)