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 gradient_programs():
""" Constructs a list of program modules implementing
gradient input writers.
"""
return pm.program_modules_with_function(pm.Job.GRADIENT)
def optimization_programs():
""" Constructs a list of program modules implementing
geometry optimization input writers.
"""
return pm.program_modules_with_function(pm.Job.OPTIMIZATION)
def irc_programs():
""" Constructs a list of program modules implementing
Intrinsic Reaction Coordinate input writers.
"""
return pm.program_modules_with_function(pm.Job.IRC)
def molecular_properties_programs():
""" Constructs a list of program modules implementing
molecular properties, including the
dipole moment and polarizability, input writers.
"""
return pm.program_modules_with_function(pm.Job.MOLPROP)
def vpt2_programs():
""" Constructs a list of program modules implementing
2nd-order vibrational perturbation theory (VPT2) input writers.
"""
return pm.program_modules_with_function(pm.Job.VPT2)
def hessian_programs():
""" Constructs a list of program modules implementing
Hessian input writers.
"""
return pm.program_modules_with_function(pm.Job.HESSIAN)