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int | iteration_gsp |
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double | enl |
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double | eext |
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double | eke |
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double | ehart |
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double | egga |
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double | eexc |
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double | fictEke |
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double | fmagPsi |
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double | eewald_recip |
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double | totalElecEnergy |
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int | iteration_atm |
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double | eewald_real |
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double | eKinetic_atm |
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double | eKineticNhc_atm |
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double | potNhc_atm |
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double | fmag_atm |
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double | potPIMDChain |
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Definition at line 20 of file energy.h.
The documentation for this struct was generated from the following file: