make sure that output variables are initialized
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@ -72,6 +72,8 @@ FixPIMDNVT::FixPIMDNVT(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
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nhc_eta_dotdot = nullptr;
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nhc_eta_dotdot = nullptr;
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nhc_eta_mass = nullptr;
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nhc_eta_mass = nullptr;
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spring_energy = t_sys = virial = 0.0;
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method = PIMD;
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method = PIMD;
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fmass = 1.0;
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fmass = 1.0;
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nhc_temp = 298.15;
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nhc_temp = 298.15;
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