| /dports/science/openmx/openmx3.8/source/ |
| H A D | Get_Cnt_dOrbitals.c | 37 double dSHp[Supported_MaxL*2+1][2]; in Get_Cnt_dOrbitals() local
292 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Get_Cnt_dOrbitals()
297 dAFP[L0][0] = -dSHp[L0][0]; in Get_Cnt_dOrbitals()
304 dAFP[L0][i] = -2.0/sqrt(2.0)*dSHp[L0-(2*j+1)][0]; in Get_Cnt_dOrbitals()
312 dAFP[L0][i] = -2.0/sqrt(2.0)*dSHp[L0-2*j][0]; in Get_Cnt_dOrbitals()
320 dAFP[L0][i] = -2.0/sqrt(2.0)*dSHp[L0-(2*j+1)][1]; in Get_Cnt_dOrbitals()
328 dAFP[L0][i] = -2.0/sqrt(2.0)*dSHp[L0-2*j][1]; in Get_Cnt_dOrbitals()
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| H A D | Get_dOrbitals.c | 40 double dSHp[Supported_MaxL*2+1][2]; in Get_dOrbitals() local
375 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Get_dOrbitals()
400 sum0 += Comp2Real[L0][i][j].r*dSHp[j][0] - Comp2Real[L0][i][j].i*dSHp[j][1]; in Get_dOrbitals()
401 sum1 += Comp2Real[L0][i][j].r*dSHp[j][1] + Comp2Real[L0][i][j].i*dSHp[j][0]; in Get_dOrbitals()
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| H A D | openmx_common.c | 604 double SH[2], double dSHt[2], double dSHp[2]) in ComplexSH()
641 dSHp[0] = -(double)m*tmp0*ALeg[0]*si; in ComplexSH()
642 dSHp[1] = (double)m*tmp0*ALeg[0]*co; in ComplexSH()
650 dSHp[0] = -(double)m*tmp0*ALeg[0]*si; in ComplexSH()
651 dSHp[1] = (double)m*tmp0*ALeg[0]*co; in ComplexSH()
658 dSHp[0] = (double)m*tmp0*ALeg[0]*si; in ComplexSH()
659 dSHp[1] = -(double)m*tmp0*ALeg[0]*co; in ComplexSH()
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| H A D | Get_Cnt_Orbitals.c | 29 double dSHp[Supported_MaxL*2+1][2]; in Get_Cnt_Orbitals() local
193 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Get_Cnt_Orbitals()
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| H A D | Set_OLP_Kin.c | 140 double gant,SH[2],dSHt[2],dSHp[2]; in Set_OLP_Kin() local
405 ComplexSH(l,m,theta,phi,SH,dSHt,dSHp); in Set_OLP_Kin()
408 dSHp[1] = -dSHp[1]; in Set_OLP_Kin()
412 CYp = Complex(dSHp[0],dSHp[1]); in Set_OLP_Kin()
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| H A D | Get_Orbitals.c | 29 double dSHp[Supported_MaxL*2+1][2]; in Get_Orbitals() local
261 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Get_Orbitals()
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| H A D | Set_ProExpn_VNA.c | 263 double gant,SH[2],dSHt[2],dSHp[2]; in Set_ProExpn() local
564 ComplexSH(LL,m,theta,phi,SH,dSHt,dSHp); in Set_ProExpn()
568 dSHp[1] = -dSHp[1]; in Set_ProExpn()
572 CYp = Complex(dSHp[0],dSHp[1]); in Set_ProExpn()
1464 double SH[2],dSHt[2],dSHp[2]; in Set_VNA2() local
1736 ComplexSH(LL,m,theta,phi,SH,dSHt,dSHp); in Set_VNA2()
1739 CYp = Complex(dSHp[0],dSHp[1]); in Set_VNA2()
2184 double SH[2],dSHt[2],dSHp[2]; in Set_VNA3() local
2457 ComplexSH(LL,m,theta,phi,SH,dSHt,dSHp); in Set_VNA3()
2460 CYp = Complex(dSHp[0],dSHp[1]); in Set_VNA3()
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| H A D | Set_Orbitals_Grid.c | 75 double dSHp[Supported_MaxL*2+1][2]; in Set_Orbitals_Grid() local
371 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Set_Orbitals_Grid()
468 double dSHp[Supported_MaxL*2+1][2]; in Set_Orbitals_Grid() local
766 ComplexSH(L0,m,Q,P,SH[L0+m],dSHt[L0+m],dSHp[L0+m]); in Set_Orbitals_Grid()
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| H A D | Set_Nonlocal.c | 160 double SH[2],dSHt[2],dSHp[2]; in Nonlocal0() local
461 ComplexSH(LL,m,theta,phi,SH,dSHt,dSHp); in Nonlocal0()
464 dSHp[1] = -dSHp[1]; in Nonlocal0()
468 CYp = Complex(dSHp[0],dSHp[1]); in Nonlocal0()
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| H A D | openmx_common.h | 3201 double SH[2], double dSHt[2], double dSHp[2]);
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| H A D | Generate_Wannier.c | 382 double gant,r,theta,phi,SH[2],dSHt[2],dSHp[2]; in Set_OLP_Projector_Basis() local
602 ComplexSH(l,m,theta,phi,SH,dSHt,dSHp); in Set_OLP_Projector_Basis()
605 dSHp[1] = -dSHp[1]; in Set_OLP_Projector_Basis()
609 CYp = Complex(dSHp[0],dSHp[1]); in Set_OLP_Projector_Basis()
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| /dports/science/smoldyn/smoldyn-2.67/examples/S94_archive/Andrews_2016/excluded volume/ |
| H A D | ExcludedVolme.nb | 47015 dSHp/Lo8I4tJ9PKXfv/HQy5yHfhJdoe/Crzdv/gL5HSCweCQda8wEY45sY0b
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