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Searched refs:dpdr (Results 1 – 18 of 18) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_xr2scanl.F141 double precision dpdg, dpdr
254 dpdr = -F83*p*rrho
288 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
H A Dxc_xscanl.F150 double precision dadp, dadq, dpdg, dpdr, dqdr, dqdl
254 dpdr = -F83*p*rrho
287 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
H A Dxc_xmvs15.F126 double precision dadp, dadz, dpdg, dpdr, dzdr, dzdg, dzdt
197 dpdr = -F83*p*rrho
218 dFxdr = dFxdz * dzdr + dFxdp * dpdr
H A Dxc_xr2scan.F137 double precision dpdg, dpdr
243 dpdr = -F83*p*rrho
275 dFxdr = dFxda*dadr + dFxdp*dpdr
H A Dxc_xscan.F157 double precision dpdg, dpdr
288 dpdr = -F83*p*rrho
336 dFxdr = dFxda*dadr + dFxdp*dpdr
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_xscanl.F150 double precision dadp, dadq, dpdg, dpdr, dqdr, dqdl
254 dpdr = -F83*p*rrho
287 dFxdr = dFxda*(dadp*dpdr + dadq*dqdr) + dFxdp*dpdr
H A Dxc_xmvs15.F126 double precision dadp, dadz, dpdg, dpdr, dzdr, dzdg, dzdt
197 dpdr = -F83*p*rrho
218 dFxdr = dFxdz * dzdr + dFxdp * dpdr
H A Dxc_xscan.F153 double precision dpdg, dpdr
284 dpdr = -F83*p*rrho
332 dFxdr = dFxda*dadr + dFxdp*dpdr
/dports/science/atompaw/atompaw-4.1.1.0/src/
H A Daeatom.F90484 REAL(8),allocatable :: dpdr(:),pbr(:) local
529 allocate(dpdr(Grid%n),pbr(Grid%n))
532 dpdr=0.d0;pbr=0.d0
534 CALL derivative(Grid,pbr,dpdr,2,Grid%n)
536 CALL extrapolate(Grid,dpdr)
559 deallocate(dpdr,pbr)
573 REAL(8),allocatable :: dpdr(:),pbr(:) local
637 allocate(dpdr(Grid%n),pbr(Grid%n))
640 dpdr=0.d0;pbr=0.d0
644 CALL extrapolate(Grid,dpdr)
[all …]
H A Dpseudo.F901889 REAL(8), ALLOCATABLE :: dpdr(:),pdr(:) local
1953 allocate(dpdr(n),pdr(n))
3190 allocate(pbr(n),dpdr(n),d(n))
3197 dpdr=0.d0;pbr=0.d0
3199 CALL derivative(Grid,pbr,dpdr,2,Grid%n)
3201 CALL extrapolate(Grid,dpdr)
3202 d(:)=((Grid%r(:)*dpdr(:)))**2+fac*(pbr(:))**2
3204 dpdr=0.d0;pbr=0.d0
3206 CALL derivative(Grid,pbr,dpdr,2,Grid%n)
3208 CALL extrapolate(Grid,dpdr)
[all …]
H A Dgridmod.F902545 REAL(8), allocatable:: pbr(:),dpdr(:) local
2548 allocate(pbr(n),dpdr(n))
2550 dpdr=0.d0;pbr=0.d0
2552 CALL derivative(Grid,pbr,dpdr,2,n)
2554 CALL extrapolate(Grid,dpdr)
2555 otau(:)=(Grid%r(:)*dpdr(:))**2+fac*(pbr(:))**2
2556 deallocate(pbr,dpdr)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F157 double precision dpdg, dpdr
255 dpdr = -F83*p*rrho
286 dFxdr = dFxda*dadr + dFxdp*dpdr
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F157 double precision dpdg, dpdr
255 dpdr = -F83*p*rrho
286 dFxdr = dFxda*dadr + dFxdp*dpdr
/dports/astro/siril/siril/src/opencv/findHomography/
H A Dcalibration.cpp775 CvMat* imagePoints, CvMat* dpdr, in cvProjectPoints2() argument
898 if( dpdr ) in cvProjectPoints2()
900 if( !CV_IS_MAT(dpdr) || in cvProjectPoints2()
901 (CV_MAT_TYPE(dpdr->type) != CV_32FC1 && in cvProjectPoints2()
902 CV_MAT_TYPE(dpdr->type) != CV_64FC1) || in cvProjectPoints2()
903 dpdr->rows != count*2 || dpdr->cols != 3 ) in cvProjectPoints2()
906 if( CV_MAT_TYPE(dpdr->type) == CV_64FC1 ) in cvProjectPoints2()
908 _dpdr = cvCloneMat(dpdr); in cvProjectPoints2()
988 calc_derivatives = dpdr || dpdt || dpdf || dpdc || dpdk; in cvProjectPoints2()
1136 if( _dpdr != dpdr ) in cvProjectPoints2()
[all …]
/dports/graphics/opencv/opencv-4.5.3/modules/calib3d/src/
H A Dcalibration.cpp527 CvMat* imagePoints, CvMat* dpdr CV_DEFAULT(NULL),
664 if( dpdr )
666 if( !CV_IS_MAT(dpdr) ||
667 (CV_MAT_TYPE(dpdr->type) != CV_32FC1 &&
668 CV_MAT_TYPE(dpdr->type) != CV_64FC1) ||
669 dpdr->rows != count*2 || dpdr->cols != 3 )
672 if( CV_MAT_TYPE(dpdr->type) == CV_64FC1 )
674 _dpdr.reset(cvCloneMat(dpdr));
1012 if( _dpdr != dpdr )
1013 cvConvert( _dpdr, dpdr );
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/
H A Dpair_smtbq.cpp3859 double ulim,n1,n2,p,pt,x,k,dpdz1,dpdz2,dptdz1,dptdz2,dpdr,dptdr,d2pdz1r, in css() local
3903 dpdr=0.5*sumzeta; in css()
3956 dar[i]=-a[i+1]*dpdr; in css()
3958 d2a1r[i]=a[i+2]*dpdz1*dpdr-a[i+1]*d2pdz1r; in css()
3959 d2a2r[i]=a[i+2]*dpdz2*dpdr-a[i+1]*d2pdz2r; in css()
3962 d2ar2[i]=a[i+2]*dpdr*dpdr; in css()
/dports/devel/zpu-binutils/zpu-toolchain-1.0/toolchain/gdb/gdb/
H A Drs6000-tdep.c2234 /* 143 */ R(dc_dat), R(dpdr), R(dpir), R(immr),
/dports/devel/zpu-gcc/zpu-toolchain-1.0/toolchain/gdb/gdb/
H A Drs6000-tdep.c2234 /* 143 */ R(dc_dat), R(dpdr), R(dpir), R(immr),