FitPartialCharges_GlobalError
PartialCharges_OrthogonalSummation
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| [5b3781] | 1 | /*
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| 2 | * PartialChargesFused.hpp
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| 3 | *
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| 4 | * Created on: Jun 12, 2016
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 |
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| 9 | #ifndef PARTIALCHARGESFUSED_HPP_
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| 10 | #define PARTIALCHARGESFUSED_HPP_
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | /** This namespace contains a key for its sole data member PartialCharges.
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| 18 | *
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| 19 | * We need these keys as enumeration of the data members to allow
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| 20 | * generic algorithms to work on it.
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| 21 | *
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| 22 | * \note forward declarations are not enough as we need the true (but empty)
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| 23 | * instance when going through the list with boost::mpl::for_each.
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| 24 | */
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| 25 | struct PartialChargesFused
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| 26 | {
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| 27 | // keys for partial charges
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| 28 | struct partial_charges_t {};
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| 29 | };
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| 30 |
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| 31 | #endif /* PARTIALCHARGESFUSED_HPP_ */
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