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src/m/a/matter-0.8-r960-20110308/matter/obsolete/UnitCell.py   matter(Download)
import numpy as np
import numpy.linalg as la
from Atom import Atom
from matter.crystalUtils.MonkhorstPack import MonkhorstPack
 
 
        recipvectors = 2 * np.pi * la.inv(np.transpose(self._lattice))
        frackpts = MonkhorstPack(size)
        frackpts += np.array(shift)
        # this applies scaling of MP grid by reciprocal cell vectors:
 
        recipvectors = 2 * np.pi * la.inv(np.transpose(self._lattice))
        frackpts = MonkhorstPack(size)
        frackpts += np.array(shift)
        frackpts.shape=(size[0], size[1], size[2], 3)

src/m/a/matter-0.8-r960-20110308/matter/Lattice.py   matter(Download)
import numpy.linalg as numalg
from StructureErrors import LatticeError
from matter.crystalUtils.MonkhorstPack import MonkhorstPack
 
# helper functions
        #recipvectors = 2 * numpy.pi * numalg.inv(numpy.transpose(self.base))
        recipvectors = self.recbase2pi
        frackpts = MonkhorstPack(size)
        frackpts += numpy.array(shift)
        # this applies scaling of MP grid by reciprocal cell vectors:
 
        recipvectors = 2 * numpy.pi * numalg.inv(numpy.transpose(self.base))
        frackpts = MonkhorstPack(size)
        frackpts += numpy.array(shift)
        frackpts.shape = (size[0], size[1], size[2], 3)