/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/pseudopotentials/troullier-martins/ |
H A D | splift.f | 151 40 YPP(1) = 4*B1 160 YPP(N) = 4*BN 166 YPP(1) = YPP(1)/W(1,1) 168 60 YPP(I) = (YPP(I) - W(I,2)*YPP(I-1))/W(I,1) 174 70 YPP(I) = YPP(I) - W(I,3)*YPP(I+1) 179 1 + YPP(2))/6 181 80 YP(I) = YP(I) + W(I,2)*(YPP(I-1) + 2*YPP(I))/6 182 YP(N) = YP(N) + (X(N)-X(NM1))*(YPP(NM1) + 2*YPP(N))/6 324 1 -H2*(YPP(I)*(XR-XR3) + YPP(I+1)*(XL-XL3))/6.0D0 326 1 +H*(YPP(I)*(1.0D0-3.0D0*XR2)-YPP(I+1)*(1.0D0-3.0D0*XL2))/6.0D0 [all …]
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H A D | kbconv.f | 1617 SUM = (YPP(I+1)-YPP(I))*HSUM*HDIFF*(HUP2+HLO2)/(24*HI) 1632 SUM3 = (YPP(I+1)-YPP(I))*HDIFF*HSUM*(HI2+HLO2)/HI 1649 SUM3 = SUM3 + (YPP(I+1)-YPP(I))*HI3 1668 PSUM3 = (YPP(I+1)-YPP(I))*HUP4/HI 1907 YPP(1) = YPP(1)/W(1,1) 1909 60 YPP(I) = (YPP(I) - W(I,2)*YPP(I-1))/W(I,1) 1915 70 YPP(I) = YPP(I) - W(I,3)*YPP(I+1) 1922 80 YP(I) = YP(I) + W(I,2)*(YPP(I-1) + 2*YPP(I))/6 1923 YP(N) = YP(N) + (X(N)-X(NM1))*(YPP(NM1) + 2*YPP(N))/6 2094 1 -H2*(YPP(I)*(XR-XR3) + YPP(I+1)*(XL-XL3))/6.0D0 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/pseudopotentials/troullier-martins/ |
H A D | splift.f | 151 40 YPP(1) = 4*B1 160 YPP(N) = 4*BN 166 YPP(1) = YPP(1)/W(1,1) 168 60 YPP(I) = (YPP(I) - W(I,2)*YPP(I-1))/W(I,1) 174 70 YPP(I) = YPP(I) - W(I,3)*YPP(I+1) 179 1 + YPP(2))/6 181 80 YP(I) = YP(I) + W(I,2)*(YPP(I-1) + 2*YPP(I))/6 182 YP(N) = YP(N) + (X(N)-X(NM1))*(YPP(NM1) + 2*YPP(N))/6 324 1 -H2*(YPP(I)*(XR-XR3) + YPP(I+1)*(XL-XL3))/6.0D0 326 1 +H*(YPP(I)*(1.0D0-3.0D0*XR2)-YPP(I+1)*(1.0D0-3.0D0*XL2))/6.0D0 [all …]
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H A D | kbconv.f | 1617 SUM = (YPP(I+1)-YPP(I))*HSUM*HDIFF*(HUP2+HLO2)/(24*HI) 1632 SUM3 = (YPP(I+1)-YPP(I))*HDIFF*HSUM*(HI2+HLO2)/HI 1649 SUM3 = SUM3 + (YPP(I+1)-YPP(I))*HI3 1668 PSUM3 = (YPP(I+1)-YPP(I))*HUP4/HI 1907 YPP(1) = YPP(1)/W(1,1) 1909 60 YPP(I) = (YPP(I) - W(I,2)*YPP(I-1))/W(I,1) 1915 70 YPP(I) = YPP(I) - W(I,3)*YPP(I+1) 1922 80 YP(I) = YP(I) + W(I,2)*(YPP(I-1) + 2*YPP(I))/6 1923 YP(N) = YP(N) + (X(N)-X(NM1))*(YPP(NM1) + 2*YPP(N))/6 2094 1 -H2*(YPP(I)*(XR-XR3) + YPP(I+1)*(XL-XL3))/6.0D0 [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/XSpectra/src/ |
H A D | radin_mod.f90 | 281 40 YPP(1) = 4*B1 297 YPP(1) = YPP(1)/W(1,1) 299 YPP(I) = (YPP(I) - W(I,2)*YPP(I-1))/W(I,1) 306 YPP(I) = YPP(I) - W(I,3)*YPP(I+1) 313 YP(I) = YP(I) + W(I,2)*(YPP(I-1) + 2*YPP(I))/6 315 YP(N) = YP(N) + (X(N)-X(NM1))*(YPP(NM1) + 2*YPP(N))/6 469 SUM = (YPP(I+1)-YPP(I))*HSUM*HDIFF*(HUP2+HLO2)/(24*HI) 485 SUM3 = (YPP(I+1)-YPP(I))*HDIFF*HSUM*(HI2+HLO2)/HI 502 SUM3 = SUM3 + (YPP(I+1)-YPP(I))*HI3 521 PSUM3 = (YPP(I+1)-YPP(I))*HUP4/HI [all …]
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/dports/math/adol-c/ADOL-C-2.7.2/ADOL-C/examples/additional_examples/timing/ |
H A D | vgenmain.cpp | 217 double ***YPPP, **YPP, *YP; in main() local 375 delete[] YPP[i]; in main() 376 delete[] YPP; in main() 435 delete[] YPP[i]; in main() 436 delete[] YPP; in main() 485 delete[] YPP[i]; in main() 486 delete[] YPP; in main() 653 delete[] YPP[i]; in main() 654 delete[] YPP; in main() 796 delete[] YPP[i]; in main() [all …]
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H A D | sgenmain.cpp | 214 double ***YPPP, **YPP, *YP; in main() local 461 YPP = new double*[1]; in main() 462 YPP[0] = new double[pFW]; in main() 468 retVal = forward(tag,1,indepDim,pFW,indeps,XPP,YP,YPP); in main() 487 delete[] YPP[0]; in main() 488 delete[] YPP; in main()
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/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.fortran-torture/compile/ |
H A D | pr83189.f90 | 4 Subroutine SPLIFT (X,Y,YP,YPP,N,IERR,ISX,A1,B1,AN,BN) argument 7 Real(dp), Intent(out) :: YP(N),YPP(N) local 19 40 YPP(1) = 4*B1 23 YPP(I) = 6*(DNEW - DOLD)
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/dports/math/py-bottleneck/Bottleneck-1.3.2/bottleneck/src/ |
H A D | reduce_template.c | 115 YPP = asum; in REDUCE_ONE() 147 YPP = asum; in REDUCE_ONE() 208 YPP = asum; in REDUCE_ONE() 251 YPP = asum; in REDUCE_ONE() 337 YPP = asum; in REDUCE_ONE() 466 YPP = extreme; in REDUCE_ONE() 510 YPP = extreme; in REDUCE_ONE() 582 YPP = idx; in REDUCE_ONE() 640 YPP = idx; in REDUCE_ONE() 952 YPP = f; in REDUCE_ONE() [all …]
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/dports/math/miracl/miracl-5.6/ |
H A D | schoof2.cpp | 476 Poly2Mod X2,XP,YP,YPy,XP2,XPP,YPP,YPPy,TT,SX,XK[600]; in main() local 1063 YPP=compose(YP,XP)+YP*TT; in main() 1068 YPP=YP; in main() 1073 YPP*=YPP; in main() 1074 YPP+=(XP2*MFX); in main() 1125 elliptic_add(XT,XTy,YT,YTy,ZT,XPP,YPP,YPPy); in main()
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