Home
last modified time | relevance | path

Searched refs:GetOrbitalCount (Results 1 – 10 of 10) sorted by relevance

/dports/science/ghemical/ghemical-3.0.0/src/
H A Deldview_wcl.cpp80 f64 maxe = eng->GetOrbitalEnergy(eng->GetOrbitalCount() - 1); in SetCenterAndScale()
192 int * del_first = new int[eng->GetOrbitalCount()]; in RenderGL()
195 while (dd < eng->GetOrbitalCount()) in RenderGL()
214 int * del_count = new int[eng->GetOrbitalCount()]; in RenderGL()
215 for (dd = 0;dd < eng->GetOrbitalCount();dd++) del_count[dd] = 0; in RenderGL()
218 while (dd < eng->GetOrbitalCount()) // calculate the group sizes... in RenderGL()
226 while (dd < eng->GetOrbitalCount()) // ...and copy them to all group members. in RenderGL()
235 for (int n1 = 0;n1 < eng->GetOrbitalCount();n1++) in RenderGL()
/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng2_qm_mm.cpp210 i32s eng2_qm_mm_mopac::GetOrbitalCount(void) in GetOrbitalCount() function in eng2_qm_mm_mopac
212 return eng1_qm_mopac::GetOrbitalCount(); in GetOrbitalCount()
336 i32s eng2_qm_mm_mpqc::GetOrbitalCount(void) in GetOrbitalCount() function in eng2_qm_mm_mpqc
338 return eng1_qm_mpqc::GetOrbitalCount(); in GetOrbitalCount()
H A Deng2_qm_mm.h83 i32s GetOrbitalCount(void); // virtual
120 i32s GetOrbitalCount(void); // virtual
H A Deng1_qm_mopac.h51 i32s GetOrbitalCount(void); // virtual
H A Deng1_qm_mpqc.h108 i32s GetOrbitalCount(void); // virtual
H A Deng1_mm.h158 virtual i32s GetOrbitalCount(void) { return 0; } // virtual in GetOrbitalCount() function
H A Dengine.h270 virtual i32s GetOrbitalCount(void) = 0;
H A Deng1_qm_mopac.cpp191 i32s eng1_qm_mopac::GetOrbitalCount(void) in GetOrbitalCount() function in eng1_qm_mopac
H A Deng1_qm_mpqc.cpp250 i32s eng1_qm_mpqc::GetOrbitalCount(void) in GetOrbitalCount() function in eng1_qm_mpqc
H A Deng1_sf.h739 i32s GetOrbitalCount(void) { return 0; } // virtual in GetOrbitalCount() function