Ignore:
Timestamp:
Aug 2, 2017, 8:25:57 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
ForceAnnealing_with_BondGraph_continued
Children:
c4a725
Parents:
90e540
Message:

tempcommit: BondVectors::getRemnant...() now requires atom's gradient.

File:
1 edited

Legend:

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  • src/Dynamics/BondVectors.hpp

    r90e540 rccbdf4  
    129129   *
    130130   * \param _walker atom to get BondVectors for
     131   * \param _walkerGradient gradient of atom to get BondVectors for
    131132   * \param _BondVectors precalculated bond vectors for given \a _walker
    132133   * \param _weights weight per bond vector (as it is a frame, not a basis)
    … …  
    137138  Vector getRemnantGradientForAtomAtStep(
    138139      const atom &_walker,
     140      const Vector &_walkerGradient,
    139141      const std::vector<Vector> _BondVectors,
    140142      const BondVectors::weights_t &_weights,
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