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Searched defs:Improper (Results 1 – 11 of 11) sorted by relevance

/dports/biology/protomol/protomol/framework/base/
H A DiSGPAR.h137 struct Improper{ struct
139 Improper(){} in Improper() argument
142 Improper(int a){ in Improper() function
164 friend Report::MyStreamer& operator<< (Report::MyStreamer& OS, const Improper & p); argument
H A DPAR.h111 struct Improper{ struct
112 Improper(){} in Improper() argument
113Improper(int a, std::string b, std::string c, std::string d, std::string e, Real f, int g, Real h): in Improper() function
125 friend Report::MyStreamer& operator<< (Report::MyStreamer& OS, const Improper & p); argument
H A DPSF.h97 struct Improper { struct
99 Improper():number(0),atom1(0),atom2(0),atom3(0),atom4(0){} in Improper() argument
100 Improper(int a, int b, int c, int d, int e):number(a),atom1(b),atom2(c),atom3(d),atom4(e){} in Improper() function
102 int number; ///< improper number
103 int atom1; ///< improper atom 1 number
104 int atom2; ///< improper atom 2 number
105 int atom3; ///< improper atom 3 number
106 int atom4; ///< improper atom 4 number
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/java/
H A DImproper.java1 public class Improper{ class
8 public Improper(String card, int isource){ in Improper() method in Improper
/dports/science/nwchem-data/nwchem-7.0.2-release/src/java/
H A DImproper.java1 public class Improper{ class
8 public Improper(String card, int isource){ in Improper() method in Improper
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dimproper.cpp60 Improper::Improper(LAMMPS *lmp) : Pointers(lmp) in Improper() function in Improper
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dimproper.cpp30 Improper::Improper(LAMMPS *lmp) : Pointers(lmp) in Improper() function in Improper
H A Dforce.h25 class Improper; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dthr_omp.h36 class Improper; variable
/dports/science/mcxtrace/mcxtrace-1.2-src/lib/share/nxslib/
H A Dsgio.c48 int Improper, Rotation, RefAxis, DirCode, Screw; member
/dports/science/mcstas-comps/mcstas-comps-2.5-src/libs/libnxs/
H A Dsgio.c48 int Improper, Rotation, RefAxis, DirCode, Screw; member