def construct_variable_temp_conditions(args, stack_mult, fileformatter, system_file):
    stack_bias = biases.StackingBias(args.stack_ene, stack_mult)
    conditions_map = {'temp': args.temps,
                      'staple_m': [args.staple_m],
                      'bias': [stack_bias]}

    return conditions.AllSimConditions(conditions_map, fileformatter, system_file)
예제 #2
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def construct_conditions(args, fileformatter):
    stack_biases = []
    for stack_mult in args.stack_mults:
        stack_bias = biases.StackingBias(args.stack_ene, stack_mult)
        stack_biases.append(stack_bias)

    conditions_map = {'temp': args.temps,
                      'staple_m': [args.staple_m],
                      'bias': stack_biases}

    return conditions.AllSimConditions(conditions_map, fileformatter)
def construct_conditions_map(args):
    stack_biases = []
    for stack_mult in args.stack_mults:
        stack_bias = biases.StackingBias(0, stack_mult)
        stack_biases.append(stack_bias)

    conditions_map = {'temp': args.temps,
                      'staple_m': [0],
                      'bias': stack_biases}

    return conditions_map