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Searched refs:YPP (Results 1 – 25 of 96) sorted by relevance

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/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/pseudopotentials/troullier-martins/
H A Dsplift.f151 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 …]
H A Dkbconv.f1617 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/pseudopotentials/troullier-martins/
H A Dsplift.f151 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 …]
H A Dkbconv.f1617 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 …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/XSpectra/src/
H A Dradin_mod.f90281 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 …]
/dports/math/adol-c/ADOL-C-2.7.2/ADOL-C/examples/additional_examples/timing/
H A Dvgenmain.cpp217 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 …]
H A Dsgenmain.cpp214 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()
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.fortran-torture/compile/
H A Dpr83189.f904 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)
/dports/math/py-bottleneck/Bottleneck-1.3.2/bottleneck/src/
H A Dreduce_template.c115 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 …]
/dports/math/miracl/miracl-5.6/
H A Dschoof2.cpp476 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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