/dports/science/openmx/openmx3.8/source/ |
H A D | FT_VNA.c | 41 double *tmp_SphB,*tmp_SphBp; in FT_VNA() local 139 …eD_Grid,Spe_CrudeVNA_Bessel) private(OMPID,Nthrds,Nprocs,j,norm_k,sum,x,r,i,tmp_SphB,tmp_SphBp,sj) in FT_VNA() 144 tmp_SphB = (double*)malloc(sizeof(double)*3); in FT_VNA() 170 Spherical_Bessel(norm_k*r,0,tmp_SphB,tmp_SphBp); in FT_VNA() 171 sj = tmp_SphB[0]; in FT_VNA() 186 free(tmp_SphB); in FT_VNA()
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H A D | FT_NLP.c | 38 double *tmp_SphB,*tmp_SphBp; in FT_NLP() local 121 …_Grid,rmin,h,VPS_j_dependency,Spe_NLRF_Bessel) private(MaxGL,L,GL,SphB,tmp_SphB,tmp_SphBp,OMPID,N… in FT_NLP() 137 tmp_SphB = (double*)malloc(sizeof(double)*(MaxGL+3)); in FT_NLP() 156 Spherical_Bessel(norm_k*r,MaxGL,tmp_SphB,tmp_SphBp); in FT_NLP() 160 SphB[GL][i] = tmp_SphB[GL]*r2; in FT_NLP() 203 free(tmp_SphB); in FT_NLP()
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H A D | FT_PAO.c | 41 double *tmp_SphB,*tmp_SphBp; in FT_PAO() local 124 …_Num_Basis,Spe_RF_Bessel) private(OMPID,Nthrds,Nprocs,kj,norm_k,i,r,r2,tmp_SphB,tmp_SphBp,GL,SphB… in FT_PAO() 134 tmp_SphB = (double*)malloc(sizeof(double)*(Spe_MaxL_Basis[spe]+3)); in FT_PAO() 153 Spherical_Bessel(norm_k*r,Spe_MaxL_Basis[spe],tmp_SphB,tmp_SphBp); in FT_PAO() 157 SphB[GL][i] = tmp_SphB[GL]*r2; in FT_PAO() 198 free(tmp_SphB); in FT_PAO()
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H A D | FT_ProExpn_VNA.c | 43 double *tmp_SphB,*tmp_SphBp; in FT_ProExpn_VNA() local 141 …or_VNA,Spe_VPS_RV,Spe_Num_Mesh_VPS,Spe_VNA_Bessel) private(SumTmp,SphB,tmp_SphB,tmp_SphBp,OMPID,N… in FT_ProExpn_VNA() 154 tmp_SphB = (double*)malloc(sizeof(double)*(List_YOUSO[35]+3)); in FT_ProExpn_VNA() 172 Spherical_Bessel(norm_k*r,List_YOUSO[35],tmp_SphB,tmp_SphBp); in FT_ProExpn_VNA() 175 SphB[L][i] = tmp_SphB[L]; in FT_ProExpn_VNA() 219 free(tmp_SphB); in FT_ProExpn_VNA()
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H A D | FT_ProductPAO.c | 46 double *tmp_SphB,*tmp_SphBp; in FT_ProductPAO() local 157 …Basis) private(GL_PAO,i,j,GL1,Mul1,GL2,Lmax,Mul2,l,SumTmp,sj,r,SphB,GL,tmp_SphB,tmp_SphBp,OMPID,N… in FT_ProductPAO() 192 tmp_SphB = (double*)malloc(sizeof(double)*(2*Spe_MaxL_Basis[spe]+3)); in FT_ProductPAO() 213 Spherical_Bessel(norm_k*r,2*Spe_MaxL_Basis[spe],tmp_SphB,tmp_SphBp); in FT_ProductPAO() 216 SphB[GL][i] = tmp_SphB[GL]; in FT_ProductPAO() 268 free(tmp_SphB); in FT_ProductPAO()
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H A D | Set_OLP_Kin.c | 142 double *tmp_SphB,*tmp_SphBp; in Set_OLP_Kin() local 301 tmp_SphB = (double*)malloc(sizeof(double)*(Lmax_Four_Int+3)); in Set_OLP_Kin() 310 Spherical_Bessel(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Set_OLP_Kin() 312 SphB[l][i] = tmp_SphB[l]; in Set_OLP_Kin() 317 free(tmp_SphB); in Set_OLP_Kin()
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H A D | Set_ProExpn_VNA.c | 272 double tmp_SphB[30]; in Set_ProExpn() local 483 Spherical_Bessel2(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Set_ProExpn() 485 SphB[LL][i] = tmp_SphB[LL]; in Set_ProExpn() 1469 double *tmp_SphB,*tmp_SphBp; in Set_VNA2() local 1676 Spherical_Bessel2(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Set_VNA2() 1678 SphB[LL][i] = tmp_SphB[LL]; in Set_VNA2() 1683 free(tmp_SphB); in Set_VNA2() 2189 double *tmp_SphB,*tmp_SphBp; in Set_VNA3() local 2396 Spherical_Bessel2(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Set_VNA3() 2398 SphB[LL][i] = tmp_SphB[LL]; in Set_VNA3() [all …]
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H A D | Set_Nonlocal.c | 167 double *tmp_SphB,*tmp_SphBp; in Nonlocal0() local 377 tmp_SphB = (double*)malloc(sizeof(double)*(Lmax_Four_Int+3)); in Nonlocal0() 386 Spherical_Bessel(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Nonlocal0() 388 SphB[LL][i] = tmp_SphB[LL]; in Nonlocal0() 394 free(tmp_SphB); in Nonlocal0()
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H A D | Generate_Wannier.c | 389 double *tmp_SphB,*tmp_SphBp; in Set_OLP_Projector_Basis() local 523 tmp_SphB = (double*)malloc(sizeof(double)*(Lmax_Four_Int+3)); in Set_OLP_Projector_Basis() 532 Spherical_Bessel(Normk*r,Lmax_Four_Int,tmp_SphB,tmp_SphBp); in Set_OLP_Projector_Basis() 534 SphB[l][i] = tmp_SphB[l]; in Set_OLP_Projector_Basis() 539 free(tmp_SphB); in Set_OLP_Projector_Basis()
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