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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rimp2_grad/
H A Dmp2_grad.NOTES5 mp2_energy lai liy wij wab wai
7 mp2_wijab_uhf wij wab
10 --->GA_PRINT lai liy wij wab wai
13 --->GA_PRINT lai wij
18 --->GA_PRINT wij
19 mp2_make_tot_wdens wij wab wai 659
24 wij C+A C+A
44 --->GA_PRINT lai liy wij wab wai
49 --->GA_PRINT lai wij
58 --->GA_PRINT wij
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/rimp2_grad/
H A Dmp2_grad.NOTES5 mp2_energy lai liy wij wab wai
7 mp2_wijab_uhf wij wab
10 --->GA_PRINT lai liy wij wab wai
13 --->GA_PRINT lai wij
18 --->GA_PRINT wij
19 mp2_make_tot_wdens wij wab wai 659
24 wij C+A C+A
44 --->GA_PRINT lai liy wij wab wai
49 --->GA_PRINT lai wij
58 --->GA_PRINT wij
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/texas/
H A Damshift.F708 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
956 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
987 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
991 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1292 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1323 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1327 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1332 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1356 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1364 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/texas/
H A Damshift.F708 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
956 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
987 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
991 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1292 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1323 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1327 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1332 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1356 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
1364 call daxpy3(mnbls,xcd,wij(1,1,2),wij(1,1,3),wij(1,1,4),
[all …]
/dports/audio/praat/praat-6.2.03/external/gsl/
H A Dgsl_histogram__stat2d.c83 double wij = h->bin[i * ny + j]; in gsl_histogram2d_xmean() local
84 if (wij > 0) in gsl_histogram2d_xmean()
85 wi += wij; in gsl_histogram2d_xmean()
124 if (wij > 0) in gsl_histogram2d_ymean()
125 wj += wij; in gsl_histogram2d_ymean()
166 if (wij > 0) in gsl_histogram2d_xsigma()
167 wi += wij; in gsl_histogram2d_xsigma()
211 if (wij > 0) in gsl_histogram2d_ysigma()
212 wj += wij; in gsl_histogram2d_ysigma()
256 if (wij > 0) in gsl_histogram2d_cov()
[all …]
/dports/math/gsl/gsl-2.7/histogram/
H A Dstat2d.c82 double wij = h->bin[i * ny + j]; in gsl_histogram2d_xmean() local
83 if (wij > 0) in gsl_histogram2d_xmean()
84 wi += wij; in gsl_histogram2d_xmean()
123 if (wij > 0) in gsl_histogram2d_ymean()
124 wj += wij; in gsl_histogram2d_ymean()
165 if (wij > 0) in gsl_histogram2d_xsigma()
166 wi += wij; in gsl_histogram2d_xsigma()
210 if (wij > 0) in gsl_histogram2d_ysigma()
211 wj += wij; in gsl_histogram2d_ysigma()
255 if (wij > 0) in gsl_histogram2d_cov()
[all …]
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_timedep/
H A Dlinrespcommon.F9036 real(dp), intent(inout) :: wij(:) local
62 nxov = size(wij)
72 eExc = wij(1)
82 eExc = wij(ii)
94 wij(nxov_r) = wij(jj)
113 wij(nxov_r) = wij(jj)
339 real(dp), intent(in) :: wij(:) local
372 wn_ij(ia) = wij(ia) * docc_ij
396 real(dp), intent(in) :: wij(:) local
446 real(dp) :: wnij(size(wij))
[all …]
H A Dlinrespgrad.F90392 ALLOCATE(wij(nxov))
424 call index_heap_sort(win, wij)
426 wij = wij(win)
686 real(dp), intent(in) :: wij(:) local
869 real(dp), intent(in) :: wij(:) local
966 real(dp), intent(in) :: wij(:) local
984 real(dp) :: wnij(size(wij))
1379 real(dp), intent(in) :: wij(:) local
2132 real(dp), intent(in) :: wij(:) local
2176 nmat = size(wij)
[all …]
/dports/www/grafana8/grafana-8.3.6/vendor/gonum.org/v1/gonum/stat/spatial/
H A Dspatial.go123 doer.DoRowNonZero(i, func(i, j int, wij float64) {
126 s0 += wij
128 v := wij + wji
135 wij := locality.At(i, j)
138 s0 += wij
140 v := wij + wji
/dports/sysutils/istio/istio-1.6.7/vendor/github.com/openshift/api/vendor/gonum.org/v1/gonum/stat/spatial/
H A Dspatial.go123 doer.DoRowNonZero(i, func(i, j int, wij float64) {
126 s0 += wij
128 v := wij + wji
135 wij := locality.At(i, j)
138 s0 += wij
140 v := wij + wji
/dports/math/freefem++/FreeFem-sources-4.6/examples/plugin/
H A Ddfft.edp44 Vh<complex> wij;
47 wij = square(2.*pi)*(square(( x<0.5?x*nx:(x-1)*nx)) + square((y<0.5?y*ny:(y-1)*ny)));
48 wij[][0] = 1e-5; // to remove div / 0
49 fhat[] = fhat[]./ wij[]; //
66 map(wij[],ny,ccc*(x*x+y*y));
67 wij[][0] = 1e-5;
/dports/science/py-esda/esda-2.4.1/esda/
H A Dgamma.py224 [wij * (z2[i] - 2.0 * z[i] * z[j] + z2[j]) for j, wij in zw]
233 zs[i] = sum([wij * abs(z[i] - z[j]) for j, wij in zw])
241 zs[i] = sum([wij * op(z, i, j) for j, wij in zw])
/dports/science/py-libpysal/libpysal-4.5.1/libpysal/weights/
H A Dweights.py970 weights[i] = [wij / row_sum for wij in wijs]
985 weights[i] = [wij * ws for wij in wijs]
996 weights[i] = [1.0 for wij in wijs]
1011 q[i] = math.sqrt(sum([wij * wij for wij in wijs]))
1012 s[i] = [wij / q[i] for wij in wijs]
1152 for j, wij in zip(n_i, w_i):
1154 wfull[i, c] = wij
/dports/textproc/ucto/ucto-0.24.1/tests/
H A Dbug0083.nl.tok.V11 wij WORD
870 wij WORD
/dports/audio/praat/praat-6.2.03/dwtools/
H A DSound_and_PCA.cpp89 longdouble wij = 0.0;
91 … wij += thy eigenvectors [k] [i] * thy eigenvectors [k] [j] / sqrt (thy eigenvalues [k]);
92 whiten [i] [j] = whiten [j] [i] = double (wij);
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dfix_rx_kokkos.cpp1958 double wij = 0.0; in operator ()() local
1969 i_sumWeights += wij; in operator ()()
1971 a_sumWeights(j) += wij; in operator ()()
1987 double wij = 0.0; in operator ()() local
1992 wij = 1.0; in operator ()()
1995 d_sumWeights(i) += wij; in operator ()()
2134 double wij = 0.0; in computeLocalTemperature()
2145 i_sumWeights += wij; in computeLocalTemperature()
2176 double wij = 0.0; in computeLocalTemperature()
2181 wij = 1.0; in computeLocalTemperature()
[all …]
/dports/math/cgal/CGAL-5.3/include/CGAL/
H A DSurface_mesh_deformation.h1131 double wij = hedge_weight[id(he)]; // edge(pi - pj)
1133 double total_weight = wij + wji;
1185 double wij = hedge_weight[id(opp)]; // edge(pi - pj)
1186 total_weight += wij;
1246 double wij = hedge_weight[id(he)];
1248 … cr_traits.add_scalar_t_vector_t_vector_transpose(cov, wij, pij, qij); // cov += wij * (pij * qij)
1318 double wij = hedge_weight[id(he)];
1371 double wij = hedge_weight[id(he)];
1447 double wij = hedge_weight[id(opp)] / 3.0; // edge(pi - pj)
1523 double wij = hedge_weight[id(he)];
[all …]
/dports/science/atompaw/atompaw-4.1.1.0/src/
H A Dpseudodata.F9043 REAL(8), POINTER :: oij(:,:),dij(:,:),wij(:,:) component
120 PAW%oij=0.d0;PAW%dij=0.d0;PAW%wij=0.d0
180 If (ASSOCIATED(PAW%wij)) DEALLOCATE(PAW%wij)
/dports/graphics/opencv/opencv-4.5.3/modules/photo/src/
H A Dcalibrate.cpp129 float wij = w.at<float>(val); in process() local
130 A.at<float>(k, val) = wij; in process()
131 A.at<float>(k, LDR_SIZE + (int)i) = -wij; in process()
132 B.at<float>(k, 0) = wij * log(times.at<float>((int)j)); in process()
/dports/cad/impact/Impact/src/j3d/
H A D_SurfRev.java85 float[][] wij; in reset() local
125 wij = new float[n][m]; in reset()
187 wij[0][j] = cpv[j].w; in reset()
201 wij[index+2][j] = cpv[j].w; in reset()
210 wij[index+1][j] = wm * cpv[j].w; in reset()
222 …controlPoints[i][j] = new _CtrlPoint(Pij[i][j].x, Pij[i][j].y, Pij[i][j].z, wij[i][j], Color.GRAY); in reset()
/dports/graphics/graphviz/graphviz-2.44.1/lib/sfdpgen/
H A Dpost_process.c111 wij = 1/(dij[nz]*dij[nz]); in dump_distance_edge_length()
113 wij = 1; in dump_distance_edge_length()
116 bot += wij*xij[nz]*xij[nz]; in dump_distance_edge_length()
193 wij = 1/(dij*dij); in get_full_stress()
196 wij = 1/(dij); in get_full_stress()
200 wij = 1; in get_full_stress()
205 wij = 1; in get_full_stress()
207 top += wij * dij * xij; in get_full_stress()
208 bot += wij*xij*xij; in get_full_stress()
226 wij = 1/(dij*dij); in get_full_stress()
[all …]
/dports/science/octopus/octopus-10.5/src/utils/
H A Doscillator_strength.F90165 FLOAT, allocatable :: wij(:), omega(:), c0i(:)
210 SAFE_ALLOCATE(wij(1:npairs))
220 wij(k) = omega(j) - omega(i)
265 leftbound = wij(k) - search_interval
266 rightbound = wij(k) + search_interval
267 call find_resonance(wij(k), leftbound, rightbound, nfrequencies)
268 … call resonance_second_order(wij(k), power, nw_subtracted, leftbound, rightbound, c0i(i), c0i(j))
269 call modify_ot(time_steps, dt, order, ot, wij(k), power)
275 SAFE_DEALLOCATE_A(wij)
/dports/x11-toolkits/p5-Prima/Prima-1.63/Prima/
H A DDocks.pm137 my ( $self, $wij) = @_;
138 if ( $wij-> can('redock')) {
139 $wij-> redock;
141 my @r = $wij-> owner-> client_to_screen( $wij-> rect);
145 self => $wij,
153 my @rx = $wij-> owner-> screen_to_client( @rc[0,1]);
154 $wij-> origin( $wij-> owner-> screen_to_client( @rc[0,1]))
157 $wij-> rect( $wij-> owner-> screen_to_client( @rc));
159 $self-> undock( $wij);
160 $self-> dock( $wij);
/dports/math/R-cran-spdep/spdep/R/
H A Dutils.R41 wij <- listw$weights[[i]] functionVar
42 rS[i] <- sum(wij)
44 dij <- wij[j]
/dports/sysutils/tracker3/tracker-3.1.2/src/libtracker-common/stop-words/
H A Dstopwords.nl42 wij

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