espaloma.mm.nonbonded.lj_9_6
- espaloma.mm.nonbonded.lj_9_6(x, sigma, epsilon)[source]
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)