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)