Hi,
I just wanted to report a nasty memory bug in calculatePrincipalAxis.
The function allocates memory for amass as
amass = safe_malloc(sizeof(double) * state->atoms);
but this memory never gets freed up! With a large trajectory this may
lead to consumption of all memory.
Cheers,
Hannes.
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Received on Mon Jul 20 2009 - 10:07:09 PDT