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Searched refs:engine_bp (Results 1 – 11 of 11) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Dengine.h32 class engine_bp; // boundary potential variable
323 class engine_bp : virtual public engine
341 engine_bp(setup *, i32u);
342 virtual ~engine_bp(void);
383 engine_bp * eng;
395 number_density_evaluator(engine_bp *, bool, i32s);
433 engine_bp * eng;
453 radial_density_function_evaluator(engine_bp *, i32s, f64, f64, f64 = -1.0, f64 = -1.0);
H A Dengine.cpp763 engine_bp::engine_bp(setup * p1, i32u p2) : engine(p1, p2) in engine_bp() function in engine_bp
773 engine_bp::~engine_bp(void) in ~engine_bp()
880 number_density_evaluator::number_density_evaluator(engine_bp * p1, bool p2, i32s p3) in number_density_evaluator()
971 radial_density_function_evaluator::radial_density_function_evaluator(engine_bp * p1, i32s p2, f64 g… in radial_density_function_evaluator()
H A Deng2_qm_mm.cpp200 engine_bp(p1, p2), in eng2_qm_mm_mopac()
326 engine_bp(p1, p2), in eng2_qm_mm_mpqc()
H A Deng1_mm_tripos52.h181 class eng1_mm_tripos52_nbt_bp : virtual public eng1_mm, virtual public engine_bp
H A Deng1_mm_default.h203 class eng1_mm_default_nbt_bp : virtual public eng1_mm, virtual public engine_bp
H A Dmodel.h167 friend class engine_bp; variable
H A Deng1_sf.h658 class eng1_sf : virtual public engine_bp
H A Dmodel.cpp2663 engine_bp * eng_bp = dynamic_cast<engine_bp *>(eng); in DoGeomOpt()
2848 engine_bp * eng_bp = dynamic_cast<engine_bp *>(eng); in DoMolDyn()
4327 engine_bp * eng_bp = dynamic_cast<engine_bp *>(dyn->eng); in WriteTrajectoryFrame()
H A Deng1_mm_tripos52.cpp831 engine_bp(p1, p2) in eng1_mm_tripos52_nbt_bp()
1376 engine_bp(p1, p2), in eng1_mm_tripos52_bp()
H A Deng1_mm_default.cpp1110 engine_bp(p1, p2) in eng1_mm_default_nbt_bp()
1763 engine_bp(p1, p2), in eng1_mm_default_bp()
H A Deng1_sf.cpp1057 engine_bp(p1, p2) in eng1_sf()