Ejemplo n.º 1
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def vpt2_programs():
    """ list of program modules implementing hessian input writers
    """
    return pm.program_modules_with_function(MODULE_NAME, module_template.vpt2)
Ejemplo n.º 2
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def optimization_programs():
    """ list of program modules implementing optimization input writers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.optimization)
Ejemplo n.º 3
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def dipole_moment_programs():
    """ list of program modules implementing dipole_moment readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.dipole_moment)
Ejemplo n.º 4
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def gradient_programs():
    """ list of program modules implementing gradient input writers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.gradient)
Ejemplo n.º 5
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def opt_geometry_programs():
    """ list of program modules implementing optimized geometry readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.opt_geometry)
Ejemplo n.º 6
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def opt_zmatrix_programs():
    """ list of program modules implementing optimized zmatrix readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.opt_zmatrix)
Ejemplo n.º 7
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def irc_programs():
    """ list of program modules implementing irc_points readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.irc_points)
Ejemplo n.º 8
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def hessian_programs():
    """ list of program modules implementing hessian readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.hessian)
Ejemplo n.º 9
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def polarizability_programs():
    """ list of program modules implementing polarizability readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.polarizability)
Ejemplo n.º 10
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def normal_coords_programs():
    """ list of program modules implementing normal mode readers
    """
    return pm.program_modules_with_function(MODULE_NAME,
                                            module_template.normal_coords)
Ejemplo n.º 11
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def harmonic_frequencies_programs():
    """ list of program modules implementing harmonic_frequencies readers
    """
    return pm.program_modules_with_function(
        MODULE_NAME, module_template.harmonic_frequencies)