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Last change
on this file since f70c2a was e08f45, checked in by Frederik Heber <heber@…>, 17 years ago |
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Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c
Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...
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Property mode
set to
100755
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File size:
890 bytes
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| 1 | #ifndef energy_h
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| 2 | #define energy_h
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| 3 | /** \file energy.h
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| 4 | * Header file for \ref energy.c
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| 5 | *
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| 6 | * Contains declarations of the functions implemented in \ref energy.c
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| 7 | *
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| 8 | Project: ParallelCarParrinello
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| 9 | Jan Hamaekers
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| 10 | 2000
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| 11 |
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| 12 | File: energy.h
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| 13 | $Id: energy.h,v 1.11 2007/02/05 13:49:56 foo Exp $
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| 14 | */
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| 15 |
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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| 20 | void CalculatePsiEnergy(struct Problem *P, const int p, const int UseInitTime);
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| 21 | void CalculateDensityEnergy(struct Problem *P, const int UseInitTime);
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| 22 | void CalculateGapEnergy(struct Problem *P);
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| 23 | void CalculateIonsEnergy(struct Problem *P);
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| 24 | void InitPsiEnergyCalculation(struct Problem *P, enum PsiTypeTag type);
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| 25 | void UpdatePsiEnergyCalculation(struct Problem *P);
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| 26 | void InitEnergyArray(struct Problem *P);
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| 27 | void UpdateEnergyArray(struct Problem *P);
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| 28 | void EnergyAllReduce(struct Problem *P);
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| 29 | void EnergyOutput(struct Problem *P, int doout);
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| 30 | #endif
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