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typdef struct{ |
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int nMolGlobal; |
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int nAtomsGlobal; |
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+ |
int nBondsGlobal; |
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+ |
int nBendsGlobal; |
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+ |
int nTorsionsGlobal; |
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+ |
int nSRIGlobal; |
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int myMolStart; |
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int myMolEnd; |
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int myAtomStart; |
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int nComponentsColumn; |
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int rowIndex; |
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int columnIndex; |
29 |
< |
} mpiComponentPlan; |
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> |
} mpiSimData; |
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31 |
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#endif |
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sequence |
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integer :: nMolGlobal = 0 |
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integer :: nAtomsGlobal = 0 |
40 |
+ |
integer :: nBondsGlobal = 0 |
41 |
+ |
integer :: nBendsGlobal = 0 |
42 |
+ |
integer :: nTorsionsGlobal = 0 |
43 |
+ |
integer :: nSRIGlobal = 0 |
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integer :: myMolStart = 0 |
45 |
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integer :: myMolEnd = 0 |
46 |
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integer :: myAtomStart = 0 |