def _core_get_gradient():
"""
.. deprecated:: 1.2
"""
warnings.warn(
"Using `psi4.core.get_gradient` (only used internally for C++ optking; deprecated silently in 1.2) is deprecated, and in 1.5 (or whenever Py optking is adopted) it will stop working\n",
category=FutureWarning,
stacklevel=2)
return core.get_legacy_gradient()
def format_kwargs_for_input(filename, lmode=1, **kwargs):
"""Function to pickle to file *filename* the options dictionary
*kwargs*. Mode *lmode* =2 pickles appropriate settings for
reap mode. Used to capture Python options information for
distributed (sow/reap) input files.
"""
warnings.warn(
"Using `psi4.driver.p4util.format_kwargs_for_input` is deprecated, and in 1.4 it will stop working\n",
category=FutureWarning,
stacklevel=2)
return core.get_legacy_gradient()
if lmode == 2:
kwargs['mode'] = 'reap'
kwargs['linkage'] = os.getpid()
filename.write('''\npickle_kw = ("""'''.encode('utf-8'))
pickle.dump(kwargs, filename)
filename.write('''""")\n'''.encode('utf-8'))
filename.write("""\nkwargs = pickle.loads(pickle_kw)\n""".encode('utf-8'))
if lmode == 2:
kwargs['mode'] = 'sow'
del kwargs['linkage']
def format_kwargs_for_input(filename, lmode=1, **kwargs):
"""Function to pickle to file *filename* the options dictionary
*kwargs*. Mode *lmode* =2 pickles appropriate settings for
reap mode. Used to capture Python options information for
distributed (sow/reap) input files.
"""
warnings.warn(
"Using `psi4.driver.p4util.format_kwargs_for_input` is deprecated, and in 1.4 it will stop working\n",
category=FutureWarning,
stacklevel=2)
return core.get_legacy_gradient()
if lmode == 2:
kwargs['mode'] = 'reap'
kwargs['linkage'] = os.getpid()
filename.write('''\npickle_kw = ("""'''.encode('utf-8'))
pickle.dump(kwargs, filename)
filename.write('''""")\n'''.encode('utf-8'))
filename.write("""\nkwargs = pickle.loads(pickle_kw)\n""".encode('utf-8'))
if lmode == 2:
kwargs['mode'] = 'sow'
del kwargs['linkage']
def _core_get_gradient():
warnings.warn(
"Using `psi4.core.get_gradient` (only used internally for C++ optking; deprecated silently in 1.2) is deprecated, and in 1.4 (or whenever Py optking is adopted) it will stop working\n",
category=FutureWarning,
stacklevel=2)
return core.get_legacy_gradient()
