Ignore:
Timestamp:
May 5, 2008, 4:19:05 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
8449ed
Parents:
38fc0d
Message:

ForcesFile and TEFactors are _needed_, reincorporated. UniqueFragments structure is now in BOSSANOVA

ForcesFile is again written, as we need it for the hydrogen not coming saturation (forces!)
TEFactors are back, as despite my notion they are needed in the evaluation
UniqueFragments structure is shifted from PowerSetGenerator to FragmentBOSSANOVA. Actually only for the labels - however, the if was changed to test the real indices (which are also always the same, which is better for adaptive runs) - but might be more useful there still.
analyzer and joiner again parse indices.

File:
1 edited

Legend:

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  • molecuilder/src/defs.hpp

    r38fc0d r115bf4  
    4444#define KEYSETFILE "KeySets.dat"
    4545#define ADJACENCYFILE "Adjacency.dat"
     46#define TEFACTORSFILE "TE-Factors.dat"
     47#define FORCESFILE "Forces-Factors.dat"
    4648#define ORDERATSITEFILE "OrderAtSite.dat"
    4749#define FRAGMENTPREFIX "BondFragment"
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