Hi all, At forcefield.cpp:2897, there is a call to memcpy:
// save the direction memcpy(_grad1, _gradientPtr, sizeof(double)*_ncoords); which copies the data in _gradientPtr to _grad1. Trouble is, _gradientPtr doesn't seem to be used in this function. Can this be removed, or am I missing something? Thanks, Dave ------------------------------------------------------------------------------ Write once. Port to many. Get the SDK and tools to simplify cross-platform app development. Create new or port existing apps to sell to consumers worldwide. Explore the Intel AppUpSM program developer opportunity. appdeveloper.intel.com/join http://p.sf.net/sfu/intel-appdev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss