Commit 83773159 authored by Malthe Kjær Bisbo's avatar Malthe Kjær Bisbo
Browse files

fixed dublicate initial structures in output trajectory

parent b5c348c0
......@@ -66,10 +66,18 @@ class GPR():
Parameters:
descriptor:
Descriptor defining the represention of structures. The Gaussian Process
works with the representations.
kernel:
Kernel (or covariance) function used in the Gaussian Process.
prior:
Prior mean function used.
n_restarts_optimizer: int
Number of gradient decent restarts performed by each compute process
during hyperparameter optimization.
"""
def __init__(self, descriptor=None, kernel='double', prior=None, n_restarts_optimizer=1, template_structure=None):
if descriptor is None:
......
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