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/dports/science/siesta/siesta-4.1.5/Src/
H A Dm_matio.F90116 n_g = 0
134 n_g = n_g + norbs_g
151 n_g = n_g + norbs_g
196 n_g = 0
216 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
231 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
251 n_g = n_g + norbs_g
271 n_g = 0
291 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
306 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
[all …]
/dports/science/siesta/siesta-4.1.5/Util/DensityMatrix/
H A Ddmbs2dm.F90138 n_g = 0
140 norbs_g = min(blocksize,no_u-n_g)
141 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
145 nnzsi = numdg(n_g+i)
149 n_g = n_g + norbs_g
150 if (n_g == no_u) EXIT
155 n_g = 0
158 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
162 nnzsi = numdg(n_g+i)
166 n_g = n_g + norbs_g
[all …]
H A DdmUnblock.F90150 n_g = 0
152 norbs_g = min(blocksize,no_u-n_g)
153 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
157 nnzsi = numdg(n_g+i)
161 n_g = n_g + norbs_g
162 if (n_g == no_u) EXIT
167 n_g = 0
170 nnzs_bg = sum(numdg(n_g+1:n_g+norbs_g))
174 nnzsi = numdg(n_g+i)
178 n_g = n_g + norbs_g
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/gww/
H A Dtimes_gw.f90458 tf%n_g=options%n_g
466 …allocate(tf%freqs_g(-tf%n_g:tf%n_g),tf%weights_freq(-tf%n_g:tf%n_g),tf%freqs_g_eff(-tf%n_g:tf%n_g))
483 tf%freqs_g(-tf%n_g:tf%n_g)=-x(1:2*tf%n_g+1)*tf%omega_g
484 tf%weights_freq_g(-tf%n_g:tf%n_g)=w(1:2*tf%n_g+1)*tf%omega_g
485 tf%freqs_g_eff(-tf%n_g:tf%n_g)=tf%freqs_g(-tf%n_g:tf%n_g)
488 tf%freqs_g(1:tf%n_g)=x(1:tf%n_g)
493 tf%weights_freq_g(1:tf%n_g)=w(1:tf%n_g)*exp(x(1:tf%n_g))
498 tf%freqs_g_eff(-tf%n_g:tf%n_g)=tf%freqs_g(-tf%n_g:tf%n_g)
507 tf%freqs_g_eff(-tf%n_g:tf%n_g)=tf%freqs_g(-tf%n_g:tf%n_g)
514 tf%freqs_g_eff(-tf%n_g:tf%n_g)=tf%freqs_g(-tf%n_g:tf%n_g)
[all …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/analyse/
H A Dvdwradii.py51 n_g = setup.nc_g.copy()
53 n_g += f * phi_g ** 2
54 return n_g, setup.rgd.r_g
67 n_g, r_g = get_density(Zrg)
74 ncut = (n_g[n - 1] +
75 (n_g[n] - n_g[n - 1]) * (R - r_g[n - 1]) /
80 n_g, r_g = get_density(Z)
82 while n_g[n] > ncut:
86 (r_g[n] - r_g[n - 1]) * (ncut - n_g[n - 1]) /
87 (n_g[n] - n_g[n - 1]))
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/
H A Dlb94.py23 for s, n_g in enumerate(n_sg):
24 n_g = n_g * len(n_sg)
25 n_g[n_g < 1e-10] = 1e-10
26 y_g = n_g**(1 / 3.0)
27 x_g = sigma_xg[2 * s]**0.5 / (y_g * n_g) * len(n_sg)
H A Dvdw.py262 n_g = n_g.clip(1e-7, np.inf)
265 kF_g = (3 * pi**2 * n_g)**(1.0 / 3.0)
280 n_g = gd.collect(n_g, broadcast=True)
418 n_c = n_g.shape
425 mask_g = (n_g.ravel() > self.ncut)
427 n_i = n_g.ravel().compress(mask_g)
791 4 * pi / 3 * (e_LDAc_g / n_g - v_LDAc_g) / n_g +
793 n_g**(-10.0 / 3.0))
795 n_g**(7.0 / 3.0))
798 v0_g = np.zeros_like(n_g)
[all …]
H A Dtb09.py66 for n_g, lapl_g in zip(n_sg, lapl_sg):
67 self.lapl.apply(n_g, lapl_g)
78 n_g = np.dot(self.Y_L[L1:L2], n_Lg[L1:L2])
80 lapl_g -= l * (l + 1) * n_g / rgd.r_g**2
106 for n_g, sigma_g, lapl_g, tau_g, v_g in zip(n_sg, sigma_xg[::2],
108 self.tb09(self.c, n_g.ravel(), sigma_g, lapl_g, tau_g, v_g,
/dports/emulators/mess/mame-mame0226/src/devices/cpu/psx/
H A Dmdec.cpp252 uint16_t psxmdec_device::mdec_clamp_g5( int32_t n_g ) const in mdec_clamp_g5()
254 return p_n_g5[ n_g + 128 + 256 ]; in mdec_clamp_g5()
266 mdec_clamp_g5( p_n_y[ 0 ] + n_g ) | in mdec_makergb15()
271 mdec_clamp_g5( p_n_y[ 1 ] + n_g ) | in mdec_makergb15()
278 int32_t n_g; in mdec_yuv2_to_rgb15() local
313 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb15()
316 mdec_makergb15( ( n_address + 0 ), n_r, n_g, n_b, p_n_y, n_stp ); in mdec_yuv2_to_rgb15()
322 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb15()
358 int32_t n_g; in mdec_yuv2_to_rgb24() local
393 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb24()
[all …]
/dports/emulators/mame/mame-mame0226/src/devices/cpu/psx/
H A Dmdec.cpp252 uint16_t psxmdec_device::mdec_clamp_g5( int32_t n_g ) const in mdec_clamp_g5()
254 return p_n_g5[ n_g + 128 + 256 ]; in mdec_clamp_g5()
266 mdec_clamp_g5( p_n_y[ 0 ] + n_g ) | in mdec_makergb15()
271 mdec_clamp_g5( p_n_y[ 1 ] + n_g ) | in mdec_makergb15()
278 int32_t n_g; in mdec_yuv2_to_rgb15() local
313 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb15()
316 mdec_makergb15( ( n_address + 0 ), n_r, n_g, n_b, p_n_y, n_stp ); in mdec_yuv2_to_rgb15()
322 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb15()
358 int32_t n_g; in mdec_yuv2_to_rgb24() local
393 n_g = mdec_cr_to_g( n_cr ) + mdec_cb_to_g( n_cb ); in mdec_yuv2_to_rgb24()
[all …]
/dports/science/libvdwxc/libvdwxc-b1e0dd854310410012d05daf4c6661b49f31b2ab/pyvdwxc/
H A Dold_ours.py35 def get_q0_on_grid(n_g, a2_g): argument
36 nmin = np.min(n_g)
39 n_g = n_g.clip(1e-10, np.inf)
40 kF = (3.0 * np.pi**2 * n_g)**(1.0 / 3.0)
42 r_s = (3.0 / (4.0 * np.pi * n_g))**(1.0 / 3.0)
49 q0 = q_cut * np.ones_like(n_g)
50 dq0_drho = np.zeros_like(n_g)
51 dq0_dgradrho = np.zeros_like(n_g)
71 dq0_dq = np.zeros_like(n_g)
72 exponent = np.zeros_like(n_g)
[all …]
/dports/graphics/inkscape/inkscape-1.1_2021-05-24_c4e8f9ed74/src/libnrtype/
H A DFontInstance.cpp417 font_glyph n_g; in LoadGlyph() local
418 n_g.pathvector=nullptr; in LoadGlyph()
419 n_g.bbox[0]=n_g.bbox[1]=n_g.bbox[2]=n_g.bbox[3]=0; in LoadGlyph()
420 n_g.h_advance = 0; in LoadGlyph()
421 n_g.v_advance = 0; in LoadGlyph()
422 n_g.h_width = 0; in LoadGlyph()
423 n_g.v_width = 0; in LoadGlyph()
517 …n_g.h_width=n_g.h_advance=((double)(theFace->bbox.xMax-theFace->bbox.xMin))/((double)theFace->unit… in LoadGlyph()
529 n_g.v_width=n_g.v_advance= 1.0; in LoadGlyph()
558 n_g.bbox[1] = bounds->top(); in LoadGlyph()
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dcalculate_wing.f9037 INTEGER :: n_g, ngm_k local
80 read(iun) n_g
85 call mp_bcast(n_g, ionode_id,world_comm)
87 allocate(freqs(n_g+1))
90 read(iun) freqs(1:n_g+1)
102 allocate(e_head(npw, n_g+1,3))
104 do ii=1,n_g+1
132 allocate(wing(numw_prod, n_g+1,3))
153 do i=1, n_g+1
178 write(iun) n_g
[all …]
/dports/math/libflame/libflame-5.2.0/src/lapack/dec/tevd/v/flamec/old/
H A DFLA_Tevd_v_opt_var5r.c169 rots->n_g += 1; in FLA_Tevd_v_opd_var5r()
170 rots->g[ rots->n_g - 1 ] = bl1_zallocv( 1 ); in FLA_Tevd_v_opd_var5r()
171 rots->m_g[ rots->n_g - 1 ] = 1; in FLA_Tevd_v_opd_var5r()
172 rots->j_off[ rots->n_g - 1 ] = ij; in FLA_Tevd_v_opd_var5r()
174 gamma1 = &(rots->g[ rots->n_g-1 ]->real); in FLA_Tevd_v_opd_var5r()
175 sigma1 = &(rots->g[ rots->n_g-1 ]->imag); in FLA_Tevd_v_opd_var5r()
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/atom/
H A Dradialgd.py96 def yukawa(self, n_g, l=0, gamma=1e-6): argument
134 nrdr_g = n_g * self.r_g**1.5 * self.dr_g
171 def derivative(self, n_g, dndr_g=None): argument
175 dndr_g[0] = n_g[1] - n_g[0]
176 dndr_g[1:-1] = 0.5 * (n_g[2:] - n_g[:-2])
177 dndr_g[-1] = n_g[-1] - n_g[-2]
194 def laplace(self, n_g, d2ndr2_g=None): argument
198 dndg_g = 0.5 * (n_g[2:] - n_g[:-2])
199 d2ndg2_g = n_g[2:] - 2 * n_g[1:-1] + n_g[:-2]
295 def poisson(self, n_g, l=0): argument
[all …]
/dports/math/vtk8/VTK-8.2.0/Filters/ParallelStatistics/
H A DvtkPCorrelativeStatistics.cxx97 int* n_g = new int[np]; in Learn() local
98 com->AllGather( &n_l, n_g, 1 ); in Learn()
114 int ns = n_g[0]; in Learn()
123 int ns_l = n_g[i]; in Learn()
171 delete [] n_g; in Learn()
H A DvtkPAutoCorrelativeStatistics.cxx92 int* n_g = new int[np]; in Learn() local
93 com->AllGather( &n_l, n_g, 1 ); in Learn()
109 int ns = n_g[0]; in Learn()
118 int ns_l = n_g[i]; in Learn()
166 delete [] n_g; in Learn()
H A DvtkPDescriptiveStatistics.cxx97 int* n_g = new int[np]; in Learn() local
98 com->AllGather( &n_l, n_g, 1 ); in Learn()
128 int ns = n_g[0]; in Learn()
136 int ns_l = n_g[i]; in Learn()
181 delete [] n_g; in Learn()
H A DvtkPMultiCorrelativeStatistics.cxx115 int* n_g = new int[np]; in GatherStatistics() local
116 com->AllGather( &n_l, n_g, 1 ); in GatherStatistics()
157 int ns = n_g[0]; in GatherStatistics()
165 int ns_l = n_g[i]; in GatherStatistics()
219 delete [] n_g; in GatherStatistics()
/dports/math/vtk9/VTK-9.1.0/Filters/ParallelStatistics/
H A DvtkPAutoCorrelativeStatistics.cxx89 int* n_g = new int[np]; in Learn() local
90 com->AllGather(&n_l, n_g, 1); in Learn()
106 int ns = n_g[0]; in Learn()
115 int ns_l = n_g[i]; in Learn()
160 delete[] n_g; in Learn()
H A DvtkPCorrelativeStatistics.cxx95 int* n_g = new int[np]; in Learn() local
96 com->AllGather(&n_l, n_g, 1); in Learn()
112 int ns = n_g[0]; in Learn()
121 int ns_l = n_g[i]; in Learn()
166 delete[] n_g; in Learn()
H A DvtkPDescriptiveStatistics.cxx95 int* n_g = new int[np]; in Learn() local
96 com->AllGather(&n_l, n_g, 1); in Learn()
124 int ns = n_g[0]; in Learn()
132 int ns_l = n_g[i]; in Learn()
174 delete[] n_g; in Learn()
/dports/math/vtk6/VTK-6.2.0/Filters/ParallelStatistics/
H A DvtkPAutoCorrelativeStatistics.cxx92 int* n_g = new int[np]; in Learn() local
93 com->AllGather( &n_l, n_g, 1 ); in Learn()
109 int ns = n_g[0]; in Learn()
118 int ns_l = n_g[i]; in Learn()
166 delete [] n_g; in Learn()
H A DvtkPCorrelativeStatistics.cxx97 int* n_g = new int[np]; in Learn() local
98 com->AllGather( &n_l, n_g, 1 ); in Learn()
114 int ns = n_g[0]; in Learn()
123 int ns_l = n_g[i]; in Learn()
171 delete [] n_g; in Learn()
H A DvtkPDescriptiveStatistics.cxx97 int* n_g = new int[np]; in Learn() local
98 com->AllGather( &n_l, n_g, 1 ); in Learn()
128 int ns = n_g[0]; in Learn()
136 int ns_l = n_g[i]; in Learn()
181 delete [] n_g; in Learn()

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