Searched refs:calc_DDistDRef (Results 1 – 3 of 3) sorted by relevance
| /dports/science/plumed/plumed2-2.7.2/regtest/basic/rt65-rmsd2/ |
| H A D | test.cpp | 141 r=rmsd->calc_DDistDRef( run,derivatives,DDistDRef,squared); in main()
182 double r=rmsd->calc_DDistDRef( run, derivatives, DDistDRef, squared); in main()
227 double r=rmsd->calc_DDistDRef( run, derivatives,DDistDRef, squared); in main()
336 … for(unsigned int j=0;j<ntest;j++)rmsd->calc_DDistDRef( r_run, derivatives,DDistDRef, squared); in main()
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| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | RMSD.h | 234 …double calc_DDistDRef( const std::vector<Vector>& positions, std::vector<Vector> &DDistDPos, std::…
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| H A D | RMSD.cpp | 207 double RMSD::calc_DDistDRef( const std::vector<Vector>& positions, std::vector<Vector> &derivatives… in calc_DDistDRef() function in PLMD::RMSD
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