import numpy

pyscf · Apr 16, 2018 · 782f104 · 782f104
1 parent d83e823
commit 782f104
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/pyscf/cc/ccsd_t_rdm_slow.py b/pyscf/cc/ccsd_t_rdm_slow.py
@@ -167,5 +167,5 @@ def r6(w):
     h1 = reduce(numpy.dot, (mf.mo_coeff.T, mf.get_hcore(), mf.mo_coeff))
     e3 =(numpy.einsum('ij,ji->', h1, dm1)
        + numpy.einsum('ijkl,ijkl->', eri_mo, dm2)*.5 + mf.mol.energy_nuc())
-    print e3ref, e3-(mf.e_tot+ecc)
+    print(e3ref, e3-(mf.e_tot+ecc))
 
diff --git a/pyscf/scf/addons.py b/pyscf/scf/addons.py
@@ -328,7 +328,7 @@ def remove_linear_dep_(mf, threshold=1e-8, lindep=1e-14):
             dependence issue.
     '''
     s = mf.get_ovlp()
-    cond = np.max(lib.cond(s))
+    cond = numpy.max(lib.cond(s))
     if cond < 1./lindep:
         return mf