Acceptance Tests (pele.accept_tests)#
This module contains the acceptance tests for MonteCarlo and BasinHopping
|
Accept steps based on the metropolis criterion |
|
Reject a structure if any atoms are outside a spherical region |
This module contains the acceptance tests for MonteCarlo and BasinHopping
|
Accept steps based on the metropolis criterion |
|
Reject a structure if any atoms are outside a spherical region |