def gradient_programs():
""" Constructs a list of program modules implementing
gradient output readers.
"""
return pm.program_modules_with_function(pm.Job.GRADIENT)
def hessian_programs():
""" Constructs a list of program modules implementing
Hessian output readers.
"""
return pm.program_modules_with_function(pm.Job.HESSIAN)
def dipole_moment_programs():
""" Constructs a list of program modules implementing
static dipole moment output readers.
"""
return pm.program_modules_with_function(pm.Job.DIP_MOM)
def polarizability_programs():
""" Constructs a list of program modules implementing
polarizability tensor output readers.
"""
return pm.program_modules_with_function(pm.Job.POLAR)
def opt_zmatrix_programs():
""" Contucts a list of program modules implementing
optimized Z-Matrix output readers.
"""
return pm.program_modules_with_function(pm.Job.OPT_ZMA)
def vpt2_programs():
""" Constructs a list of program modules implementing
2nd-order vibrational perturbation theory (VPT2) output readers.
"""
return pm.program_modules_with_function(pm.Job.VPT2)
def opt_geometry_programs():
""" Constructs a list of program modules implementing
optimized geometry output readers.
"""
return pm.program_modules_with_function(pm.Job.OPT_GEO)
def programs():
""" Constructs a list of available electronic structure programs.
At minimum, each program must have an energy reader to be enumerated.
"""
return pm.program_modules_with_function(pm.Job.ENERGY)
def irc_programs():
""" Constructs a list of program modules implementing
Intrinsic Reaction Coordinate output readers.
"""
return pm.program_modules_with_function(pm.Job.IRC_PTS)
def normal_coordinates_programs():
""" Constructs a list of program modules implementing
normal coordinate output readers.
"""
return pm.program_modules_with_function(pm.Job.NORM_COORDS)
def harmonic_frequencies_programs():
""" Constructs a list of program modules implementing
harmonic vibrarional frequency output readers.
"""
return pm.program_modules_with_function(pm.Job.HARM_FREQS)