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occ
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#include <elastic_fitting.h>
Public Attributes | |
| int | molecule_a |
| int | molecule_b |
| occ::Vec3 | v_ab_com |
| double | energy |
| double occ::elastic_fit::PairInput::energy |
| int occ::elastic_fit::PairInput::molecule_a |
| int occ::elastic_fit::PairInput::molecule_b |
| occ::Vec3 occ::elastic_fit::PairInput::v_ab_com |