pele.systems.blj_bulk_frozen

class pele.systems.blj_bulk_frozen.BLJBulkFrozen

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class BLJBulkFrozen(BLJBulk):

Binary Lennard Jones in a periodic box with frozen atoms

BLJBulkFrozen.get_permlist()

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def get_permlist(self):

return the permutable mobile atoms

BLJBulkFrozen.get_random_configuration()

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def get_random_configuration(self):

return a random configuration in the reduced coordinates

BLJBulkFrozen.draw()

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def draw(self, coordslinear, index):

draw the frozen atoms differently from the mobile atoms