diff --git a/NOTICE b/NOTICE old mode 100755 new mode 100644 diff --git a/README.rst b/README.rst index 22c6574..5782e43 100644 --- a/README.rst +++ b/README.rst @@ -12,7 +12,7 @@ This plugin library allows the electronic structure package `PySCF " + "" ] }, "metadata": {}, @@ -638,7 +636,7 @@ } ], "source": [ - "from openfermion.utils import MolecularData\n", + "from openfermion.hamiltonians import MolecularData\n", "from openfermionpyscf import run_pyscf\n", "\n", "# Set molecule parameters.\n", diff --git a/examples/plotter.py b/examples/plotter.py index 49513aa..c059339 100644 --- a/examples/plotter.py +++ b/examples/plotter.py @@ -15,8 +15,8 @@ import numpy import warnings -from openfermion.utils import (make_atom, make_atomic_ring, - MolecularData, periodic_table) +from openfermion.hamiltonians import (make_atom, make_atomic_ring, + MolecularData, periodic_table) def latex_name(molecule): @@ -55,7 +55,6 @@ def latex_name(molecule): y_log = 0 # Set chemical series parameters. - plot_elements = 0 max_electrons = 10 spacing = 0.7414 basis = 'sto-3g' @@ -63,11 +62,7 @@ def latex_name(molecule): # Get chemical series. molecular_series = [] for n_electrons in range(2, max_electrons + 1): - if plot_elements: - atomic_symbol = periodic_table[n_electrons] - molecule = make_atom(atomic_symbol, basis) - else: - molecule = make_atomic_ring(n_electrons, spacing, basis) + molecule = make_atomic_ring(n_electrons, spacing, basis) molecule.load() molecular_series += [molecule] diff --git a/openfermionpyscf/_version.py b/openfermionpyscf/_version.py index e03592d..eae1f87 100644 --- a/openfermionpyscf/_version.py +++ b/openfermionpyscf/_version.py @@ -11,4 +11,4 @@ # limitations under the License. """Define version number here and read it from setup.py automatically""" -__version__ = "0.1a1" +__version__ = "0.1a2" diff --git a/requirements.txt b/requirements.txt index 27d7c94..b0d0273 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,2 +1,2 @@ -openfermion>=0.1a0 +openfermion>=0.1a2 pyscf