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caedb5d0

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Commit caedb5d0 authored 12 years ago by Giovanni Bussi

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Fixed numerical derivatives for virial

The virial computed with NUMERICAL_DERIVATIVES was transposed
wrt to the analytical one. Fixed now.

parent f8c380eb

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regtest/rt1/der5.reference 4 additions, 4 deletions

regtest/rt1/der5.reference
regtest/rt16/mu1.reference 4 additions, 4 deletions

regtest/rt16/mu1.reference
regtest/rt16/mu1corr.reference 12 additions, 12 deletions

regtest/rt16/mu1corr.reference
regtest/rt36/DERIVATIVES1.reference 2 additions, 2 deletions

regtest/rt36/DERIVATIVES1.reference
src/core/ActionAtomistic.cpp 2 additions, 2 deletions

src/core/ActionAtomistic.cpp

with 24 additions and 24 deletions

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