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pele-python / pele

Python energy landscape explorer
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add loop with break #112

Closed kjs73 closed 9 years ago

kjs73 commented 9 years ago

@js850, do you think this would be a way to then implement an overlap check (or other exits from the loop)?

js850 commented 9 years ago

Yes, it looks all right. But I would put it in mcpele unless you think other tools in pele will use it.

kjs73 commented 9 years ago

Great, thank you. Just thought other loops might would like to break somehow; I will move it away and close this PR then.

js850 commented 9 years ago

Just thought other loops might would like to break somehow

You may be right, I just can't think of any. If you do have use cases, then feel free to leave it in pele

coveralls commented 9 years ago

Coverage Status

Coverage decreased (-0.04%) when pulling a6ac49a49c987447877c52cbf15de60354553867 on kjs73:exit_cell_loop into a58f54a9f761cccf4b41000ec6fbf758fd5afa1d on pele-python:master.