Searched defs:nrestraints (Results 1 – 3 of 3) sorted by relevance
| /dports/science/shelxle/shelxle-1.0.1352/ |
| H A D | listfile.h | 47 QString nrestraints; //! number of restraints used in refinement member
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | molecule_kind_types.F | 575 nvsite_restraint, nrestraints, nmolecule, nsgf, nshell, ntorsion, & argument
609 ng4x6_restraint, nvsite_restraint, nrestraints, nmolecule, nsgf, nshell, ntorsion local
738 nrestraints) argument
744 nrestraints local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | molecule_kind_types.F | 575 nvsite_restraint, nrestraints, nmolecule, nsgf, nshell, ntorsion, & argument
609 ng4x6_restraint, nvsite_restraint, nrestraints, nmolecule, nsgf, nshell, ntorsion local
738 nrestraints) argument
744 nrestraints local
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