/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/ |
H A D | pawcorrection.py | 42 nc_g, # core density argument 58 self.ng = ng = len(nc_g) 99 self.nc_g = nc_g 125 n_Lg[0] += self.nc_g * sqrt(4 * pi)
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H A D | lda.py | 48 nc0_sg[:] = sqrt(4 * pi) / nspins * xcc.nc_g
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/dports/math/R-cran-sf/sf/man/ |
H A D | geos_unary.Rd | 183 nc_g = st_geometry(nc) 184 plot(st_convex_hull(nc_g)) 185 plot(nc_g, border = grey(.5), add = TRUE) 189 plot(nc_g[1]) 190 plot(st_simplify(nc_g[1], dTolerance = 1e3)) # 1000m 191 plot(st_simplify(nc_g[1], dTolerance = 5e3)) # 5000m 192 nc_g_planar = st_transform(nc_g, 2264) # planar coordinates, US foot 232 plot(nc_g, axes = TRUE) 233 plot(st_centroid(nc_g), add = TRUE, pch = 3, col = 'red') 238 plot(nc_g, axes = TRUE) [all …]
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/dports/math/vtk8/VTK-8.2.0/Filters/ParallelStatistics/ |
H A D | vtkPOrderStatistics.cxx | 282 vtkIdType* nc_g = new vtkIdType[np]; in Learn() local 283 com->AllGather( &nc_l, nc_g, 1 ); in Learn() 292 ncTotal += nc_g[i]; in Learn() 304 if ( ! com->GatherV( &(*sPack_l.begin()), sPack_g, nc_l, nc_g, offsets, rProc ) ) in Learn()
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/dports/math/vtk9/VTK-9.1.0/Filters/ParallelStatistics/ |
H A D | vtkPOrderStatistics.cxx | 271 vtkIdType* nc_g = new vtkIdType[np]; in Learn() local 272 com->AllGather(&nc_l, nc_g, 1); in Learn() 281 ncTotal += nc_g[i]; in Learn() 293 if (!com->GatherV(&(*sPack_l.begin()), sPack_g, nc_l, nc_g, offsets, rProc)) in Learn()
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/dports/math/vtk6/VTK-6.2.0/Filters/ParallelStatistics/ |
H A D | vtkPOrderStatistics.cxx | 285 vtkIdType* nc_g = new vtkIdType[np]; in Learn() local 286 com->AllGather( &nc_l, nc_g, 1 ); in Learn() 295 ncTotal += nc_g[i]; in Learn() 307 if ( ! com->GatherV( &(*sPack_l.begin()), sPack_g, nc_l, nc_g, offsets, rProc ) ) in Learn()
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/dports/math/plplot-ada/plplot-5.15.0/src/ |
H A D | plctrl.c | 437 PLINT nc_r, nc_g, nc_b; in c_plscmap0() local 446 nc_g = g[i]; in c_plscmap0() 450 plsc->cmap0[i].g = (unsigned char) nc_g; in c_plscmap0() 475 PLINT nc_r, nc_g, nc_b; in c_plscmap0a() local 487 nc_g = g[i]; in c_plscmap0a() 492 plsc->cmap0[i].g = (unsigned char) nc_g; in c_plscmap0a() 516 PLINT nc_r, nc_g, nc_b; in c_plscmap1() local 525 nc_g = g[i]; in c_plscmap1() 529 plsc->cmap1[i].g = (unsigned char) nc_g; in c_plscmap1() 554 PLINT nc_r, nc_g, nc_b; in c_plscmap1a() local [all …]
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/dports/math/plplot/plplot-5.15.0/src/ |
H A D | plctrl.c | 437 PLINT nc_r, nc_g, nc_b; in c_plscmap0() local 446 nc_g = g[i]; in c_plscmap0() 450 plsc->cmap0[i].g = (unsigned char) nc_g; in c_plscmap0() 475 PLINT nc_r, nc_g, nc_b; in c_plscmap0a() local 487 nc_g = g[i]; in c_plscmap0a() 492 plsc->cmap0[i].g = (unsigned char) nc_g; in c_plscmap0a() 516 PLINT nc_r, nc_g, nc_b; in c_plscmap1() local 525 nc_g = g[i]; in c_plscmap1() 529 plsc->cmap1[i].g = (unsigned char) nc_g; in c_plscmap1() 554 PLINT nc_r, nc_g, nc_b; in c_plscmap1a() local [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/ |
H A D | setup.py | 358 nc_g = data.nc_g.copy() 362 nc = self.rgd.spline(nc_g, rcut2, points=1000) 503 A_q = 0.5 * (np.dot(wn_lqg[0], self.local_corr.nc_g) + np.dot( 549 wnc_g = func(self, self.local_corr.nc_g, l=0) 884 rcore, nc_g, nct_g, nct = self.construct_core_densities(data) 918 self.local_corr.nc_g = nc_g = nc_g[:gcut2].copy() 950 A = 0.5 * np.dot(nc_g, wnc_g) 951 A -= sqrt(4 * pi) * self.Z * np.dot(rdr_g, nc_g) 1095 Delta0 = np.dot(self.local_corr.nc_g - self.local_corr.nct_g, 1214 rcore = self.data.find_core_density_cutoff(setupdata.nc_g) [all …]
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H A D | setup_data.py | 79 self.nc_g = None 210 def find_core_density_cutoff(self, nc_g): argument 218 N += sqrt(4 * pi) * nc_g[g] * rgd.r_g[g]**2 * rgd.dr_g[g] 230 self.nc_g[:gcut2] / sqrt(4 * pi), 325 for name, a in [('ae_core_density', self.nc_g), 569 setup.nc_g = x_g
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H A D | hyperfine.py | 262 n_sg += setup.data.nc_g * (0.5 / (4 * pi)**0.5)
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H A D | spinorbit.py | 571 n_sg[:Ns] += a.xc_correction.nc_g / Ns
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/ |
H A D | kspot.py | 133 xccorr.nc_g - xccorr.nct_g) 161 n_sLg[:, 0] += sqrt(4 * pi) * xccorr.nc_g
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H A D | ps2ae.py | 223 dn_g += 4 * pi * (c.nc_g - c.nct_g)
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/analyse/ |
H A D | vdwradii.py | 51 n_g = setup.nc_g.copy()
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/xc/ |
H A D | test_gga_atom.py | 71 s.xc_correction.nc_g[:] = 0.0
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/response/ |
H A D | kxc.py | 346 nc_g = setup.xc_correction.nc_g 358 n_sLg[:, 0] += np.sqrt(4. * np.pi) / nspins * nc_g
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/atom/ |
H A D | generator2.py | 410 self.nc_g = self.rgd.zeros() 423 self.nc_g += f * ch.calculate_density(n) 428 self.ekincore -= self.rgd.integrate(self.nc_g * self.aea.vr_sg[0], -1) 560 self.nct_g = self.rgd.pseudize(self.nc_g, gcore)[0] 569 self.nct_g = self.rgd.pseudize(self.nc_g, gcore)[0] 1067 setup.nc_g = self.nc_g * sqrt(4 * pi)
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H A D | generator.py | 737 setup.nc_g = nc * sqrt4pi
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/gllb/ |
H A D | c_gllbscr.py | 73 n_Lg[0] += c.nc_g * sqrt(4 * pi)
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H A D | c_response.py | 196 n_Lg[0] += c.nc_g * sqrt(4 * pi) / self.nspins 228 n_Lg[0] += c.nc_g * sqrt(4 * pi) / len(D_sp)
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/dports/science/PETSc/petsc-3.14.1/src/ksp/ksp/tutorials/ |
H A D | ex70.c | 219 PetscInt i,j,nr_g,nc_g; in BForm_Div() local 225 nc_g = P_DOFS*NODES_PER_EL; in BForm_Div() 228 for (j = 0; j < nc_g; j++) { in BForm_Div() 229 De[nr_g*j+i] = Ge[nc_g*i+j]; in BForm_Div()
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H A D | ex43.c | 553 PetscInt nr_g,nc_g; in FormDivergenceOperatorQ1() local 559 nc_g = P_DOFS*NODES_PER_EL; in FormDivergenceOperatorQ1() 562 for (j = 0; j < nc_g; j++) { in FormDivergenceOperatorQ1() 563 De[nr_g*j+i] = Ge[nc_g*i+j]; in FormDivergenceOperatorQ1()
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H A D | ex42.c | 549 PetscInt nr_g,nc_g; in FormDivergenceOperatorQ13D() local 555 nc_g = P_DOFS*NODES_PER_EL; in FormDivergenceOperatorQ13D() 558 for (j = 0; j < nc_g; j++) { in FormDivergenceOperatorQ13D() 559 De[nr_g*j+i] = Ge[nc_g*i+j]; in FormDivergenceOperatorQ13D()
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/dports/biology/bbmap/bbmap/resources/ |
H A D | blacklist_nt_merged.sketch | 133661 nc_g<`Z
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