fp.py 文件源码

def __init__(self, d, f, R, gpu):
        self.d = d
        self.f = f
        self.R = R
        self.gpu = gpu
        g = ChainList(*[L.Linear(1, f) for i in six.moves.range(AtomIdMax)])
        H = ChainList(*[L.Linear(f, f) for i in six.moves.range(R)])
        W = ChainList(*[L.Linear(f, d) for i in six.moves.range(R + 1)])
        self.optimizer = optimizers.Adam()
        self.model = Chain(H=H, W=W, g=g)
        if gpu:
            self.model.to_gpu(0)
        self.optimizer.setup(self.model)
        self.to = [[] for i in six.moves.range(2)]
        self.atom_sid = [[] for i in six.moves.range(2)]
        self.anum = [[] for i in six.moves.range(2)]