Commit 7fd888b2 authored by Sherri Hadian's avatar Sherri Hadian
Browse files

adding a warning to gb generator

parent 1871f80a
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+0 −1
Original line number Diff line number Diff line
@@ -430,7 +430,6 @@ def Find_Orthogonal_cell(basis, uvw, m, n, GB1):
                    OrthoCell_2.astype(float), Num.astype(int)))

        elif basis == 'fcc' or basis == 'bcc':

            ortho1, ortho2 = Ortho_fcc_bcc(basis, OrthoCell_1, OrthoCell_2)
            Volume_1 = (round(det(ortho1), 5))
            Num = Volume_1 * len(Basis(basis)) * 2
+4 −2
Original line number Diff line number Diff line
@@ -18,6 +18,7 @@ import numpy as np
from numpy import dot, cross
from numpy.linalg import det, norm
import csl_generator as cslgen
import warnings


class GB_character:
@@ -199,7 +200,8 @@ class GB_character:
        Base = cslgen.Basis(str(self.basis))
        Atoms = []
        tol = 0.001

        if V > 5e6:
            print("Warning! It may take a very long time to produce this cell!")
        # produce Atoms:

        for i in range(V):