15 lines
506 B
Plaintext
15 lines
506 B
Plaintext
TODO list for IMD improvements
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fix IMD needs to close the socket cleanly after a run
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so it can be re-opened during init at the next run.
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fix IMD needs a signal handler for SIGIO/SIGXXX that
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occasionally crashes it when VMD goes away unexpectedly.
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improvements to keep IMD simulations going.
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we may do unphysical things and thus need to
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try making up for it as good as we can.
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- fix maxforce to cap forces. also convert NaN or Inf to 0.0
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- fix maxvel to cap velocities and set to 0.0 in a similar way.
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