Changeset 3801 for trunk/GSASIIlattice.py
 Timestamp:
 Jan 27, 2019 9:04:12 AM (4 years ago)
 File:

 1 edited
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trunk/GSASIIlattice.py
r3783 r3801 590 590 591 591 """ 592 cellstar = Gmat2cell(G)592 # cellstar = Gmat2cell(G) 593 593 g = nl.inv(G) 594 594 cell = Gmat2cell(g) 595 A = np.zeros(shape=(3,3)) 596 # from Giacovazzo (Fundamentals 2nd Ed.) p.75 597 A[0][0] = cell[0] # a 598 A[0][1] = cell[1]*cosd(cell[5]) # b cos(gamma) 599 A[0][2] = cell[2]*cosd(cell[4]) # c cos(beta) 600 A[1][1] = cell[1]*sind(cell[5]) # b sin(gamma) 601 A[1][2] = cell[2]*cosd(cellstar[3])*sind(cell[4]) #  c cos(alpha*) sin(beta) 602 A[2][2] = 1./cellstar[2] # 1/c* 603 B = nl.inv(A) 604 return A,B 595 # A = np.zeros(shape=(3,3)) 596 return cell2AB(cell) 597 # # from Giacovazzo (Fundamentals 2nd Ed.) p.75 598 # A[0][0] = cell[0] # a 599 # A[0][1] = cell[1]*cosd(cell[5]) # b cos(gamma) 600 # A[0][2] = cell[2]*cosd(cell[4]) # c cos(beta) 601 # A[1][1] = cell[1]*sind(cell[5]) # b sin(gamma) 602 # A[1][2] = cell[2]*cosd(cellstar[3])*sind(cell[4]) #  c cos(alpha*) sin(beta) 603 # A[2][2] = 1./cellstar[2] # 1/c* 604 # B = nl.inv(A) 605 # return A,B 605 606 606 607 def cell2AB(cell):
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