ROM on PinnedH2O with geometric transformation #304
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jeanlucf22
reviewed
Feb 11, 2025
| #include <boost/program_options.hpp> | ||
| namespace po = boost::program_options; | ||
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| double calculate_bondlength(const double atom1[3], const double atom2[3]) |
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as discussed, this and other functions below should be moved to another file
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but it could be done later, as part of MD implementation
jeanlucf22
approved these changes
Feb 11, 2025
oseikuffuor1
approved these changes
Feb 11, 2025
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