6ad34e5887f847aeb9f681e8f290d5877b76e52b,torch_geometric/nn/models/schnet.py,GaussianSmearing,__init__,#GaussianSmearing#Any#Any#Any#,97

Before Change

    def __init__(self, start=0.0, stop=5.0, n_gaussians=50):
        super(GaussianSmearing, self).__init__()
        offsets = torch.linspace(start, stop, n_gaussians)
        widths = torch.FloatTensor(
            (offsets[1] - offsets[0] * torch.ones_like(offsets)))
        self.register_buffer("widths", widths)
        self.register_buffer("offsets", offsets)

    def forward(self, distances):

After Change

    def __init__(self, start=0.0, stop=5.0, num_gaussians=50):
        super(GaussianSmearing, self).__init__()
        offset = torch.linspace(start, stop, num_gaussians)
        self.coeff = -0.5 / (offset[1] - offset[0]).item()**2
        self.register_buffer("offset", offset)

    def forward(self, dist):

Instances