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Searched refs:global_integral (Results 1 – 20 of 20) sorted by relevance

/dports/science/py-scipy/scipy-1.7.1/scipy/integrate/
H A D_quad_vec.py297 global_integral = None
308 if global_integral is None:
314 global_integral = ig
321 global_integral += ig
348 tol = max(epsabs, epsrel*norm_func(global_integral))
371 global_integral += dint
381 tol = max(epsabs, epsrel*norm_func(global_integral))
393 res = global_integral
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/
H A Dcg.py129 global_integral=False)
146 norm = wfs.integrate(phi_G, phi_G, global_integral=False)
162 b = wfs.integrate(phi_G, Htpsit_G, global_integral=False)
163 c = wfs.integrate(phi_G, Htphi_G, global_integral=False)
H A Ddavidson.py98 return np.real(wfs.integrate(a_G, a_G, global_integral=False))
100 np.real(wfs.integrate(b_G, b_G, global_integral=False))
H A Drmmdiis.py84 return np.real(wfs.integrate(a_G, b_G, global_integral=False))
214 global_integral=True)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/solvation/
H A Dhamiltonian.py166 global_integral=False)
173 global_integral=False)
187 global_integral=False)
H A Dinteractions.py166 global_integral=False
H A Dcavity.py903 del_outer_del_inner * self.norm_grad_out, global_integral=False
984 self.V = self.gd.integrate(1. - cavity.g_g, global_integral=False)
/dports/math/mfem/mfem-4.3/miniapps/navier/
H A Dnavier_tgv.cpp97 double global_integral = 0.0; in ComputeKineticEnergy() local
99 &global_integral, in ComputeKineticEnergy()
105 return 0.5 * global_integral / volume; in ComputeKineticEnergy()
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dhamiltonian.py585 global_integral=False)
603 global_integral=False)
622 global_integral=False)
644 global_integral=False)
647 global_integral=False)
H A Dgrid_descriptor.py272 global_integral=True, hermitian=False, argument
295 if global_integral:
309 global_integral = False
318 if global_integral:
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/
H A Dlda.py120 stress = self.gd.integrate(e_g, global_integral=False)
122 stress -= self.gd.integrate(v_g, n_g, global_integral=False)
H A Dtools.py56 vxct_G, global_integral=False)
H A Dgga.py215 return self.gd.integrate(a1_g, a2_g, global_integral=False)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/vdw/
H A Dtest_libvdwxc_functionals.py46 nv = gd.integrate(n_sg * v_sg, global_integral=True)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/cdft/
H A Dcdft.py296 global_integral=True))
311 global_integral=True)
580 n_el = (self.gd.integrate(w * dens, global_integral=True))
851 nt_g, global_integral=True) -
861 global_integral=True) - constraints[self.n_charge_regions:]
1054 global_integral=True)
H A Dcdft_coupling.py569 global_integral=True) * C_ab[I][J]
579 global_integral=True) * C_ab[J][I]
809 global_integral=True)
985 global_integral=True)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/
H A Dfd.py59 def integrate(self, a_xg, b_yg=None, global_integral=True): argument
60 return self.gd.integrate(a_xg, b_yg, global_integral)
H A Dpw.py446 global_integral=True, hermitian=False): argument
503 if global_integral:
507 assert global_integral or self.gd.comm.size == 1
766 def integrate(self, a_xg, b_yg=None, global_integral=True): argument
767 return self.pd.integrate(a_xg, b_yg, global_integral)
1905 return pd.integrate(a, b, global_integral=False)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wannier/
H A Doverlaps.py163 global_integral=False)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/atom/
H A Datompaw.py236 def integrate(self, a_xg, b_xg=None, global_integral=True): argument