| /dports/biology/protomol/protomol/framework/base/ |
| H A D | PAR.h | 79 struct Dihedral{ struct
81 Dihedral(){} in Dihedral() function
82 …Dihedral(int a, std::string b, std::string c, std::string d, std::string e, Real f, int g, Real h): in Dihedral() argument
86 Dihedral(int a, std::string b, std::string c, std::string d, std::string e, in Dihedral() function
102 friend Report::MyStreamer& operator<< (Report::MyStreamer& OS, const Dihedral & p); argument
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| H A D | iSGPAR.h | 97 struct Dihedral{ struct
99 Dihedral(){} in Dihedral() argument
102 Dihedral(int a) { in Dihedral() argument
127 friend Report::MyStreamer& operator<< (Report::MyStreamer& OS, const Dihedral & p); argument
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| H A D | PSF.h | 80 struct Dihedral { struct
82 Dihedral():number(0),atom1(0),atom2(0),atom3(0),atom4(0){} in Dihedral() argument
83 Dihedral(int a, int b, int c, int d, int e):number(a),atom1(b),atom2(c),atom3(d),atom4(e){} in Dihedral() function
85 int number; ///< dihedral number
86 int atom1; ///< dihedral atom 1 number
87 int atom2; ///< dihedral atom 2 number
88 int atom3; ///< dihedral atom 3 number
89 int atom4; ///< dihedral atom 4 number
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| /dports/science/vipster/vipster-1.19.1b-14-g7168a1b/vipster/ |
| H A D | bond.h | 41 struct Dihedral{ struct
42 std::size_t at1;
43 std::size_t at2;
44 std::size_t at3;
45 std::size_t at4;
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
| H A D | multipletimestepping.h | 54 Dihedral, //!< Dihedrals, including cmap (not restraints) enumerator
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | dihedral.cpp | 64 Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp) in Dihedral() function in Dihedral
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| /dports/science/xcrysden/xcrysden-1.6.2/Tcl/ |
| H A D | selection.tcl | 360 proc Dihedral {w} { procedure
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| /dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/analysis/ |
| H A D | dihedrals.py | 197 class Dihedral(AnalysisBase): class
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | dihedral.cpp | 32 Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp) in Dihedral() function in Dihedral
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| H A D | force.h | 24 class Dihedral; variable
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| /dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/ptools/src/ptools/ |
| H A D | geometry.cpp | 293 dbl Dihedral( const Coord3D& a, const Coord3D& b, const Coord3D& c, const Coord3D& d ) in Dihedral() function
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | thr_omp.h | 35 class Dihedral; variable
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| /dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/ |
| H A D | zmatrixcalculator.cpp | 457 float Dihedral = (float) acos(Dot); in UpdateValues() local
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| H A D | Internals.cpp | 234 float BondLength, BondAngle, Dihedral=0.0; in UpdateInternalValuesAtom() local
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| /dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
| H A D | GeomGlobal.h | 52 gchar *Dihedral; member
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| /dports/science/py-pyberny/pyberny-0.6.3/src/berny/ |
| H A D | coords.py | 118 class Dihedral(InternalCoord): class
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| /dports/science/iboview/ibo-view.20150427/src/IboView/ |
| H A D | IvTables.cpp | 185 static double Dihedral(ct::FVector3 const &vA, ct::FVector3 const &vB, ct::FVector3 const &vC, ct::… in Dihedral() function
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/trajectoryanalysis/modules/ |
| H A D | angle.cpp | 244 Dihedral, enumerator
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| /dports/science/py-ase/ase-3.22.0/ase/utils/ |
| H A D | ff.py | 53 class Dihedral: class
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| /dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/core/ |
| H A D | topologyobjects.py | 250 class Dihedral(TopologyObject): class
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| /dports/science/py-geometric/geometric-0.9.7.2/geometric/ |
| H A D | internal.py | 1171 class Dihedral(object): class
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