[h5md-commit] [SCM] UNNAMED PROJECT branch, master, updated. v1.0_rc2-81-g37dea16

[Felix Höfling]

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commit 37dea16f1829f19e36f9f022c2df6764f02602d0
Author: Felix Höfling <address@hidden>
Date:   Fri Oct 11 10:40:58 2013 +0200

    thermodynamics: drop per particle quantities, add enthalpy
    
    In thermodynamics, one may equally work with the total sums (extensive)
    or with intensive quantities, e.g., per particle or per volume. Instead
    of listing all possiblities, we decide for one choice. The others are
    easily derived by suitable normalisation.
    
    Rename 'total_energy' to 'internal_energy'.
    http://en.wikipedia.org/wiki/Internal_energy
    
    Add 'enthalpy' which plays the role of internal energy in the NPT
    ensemble: H = U + pV.

commit d055988278d4d467e6b64c85b69be9db072a465b
Author: Felix Höfling <address@hidden>
Date:   Fri Oct 11 10:14:36 2013 +0200

    thermodynamics: add 'volume'
    
    The volume is the conjugate variable to the pressure (compare NVT vs.
    NPT simulations). The volume is well-defined for arbitrary geometrical
    shapes underlying the definition of the subsystem.
    
    slight rewording of the definition of 'dimension'

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Summary of changes:
 modules.mdwn |   27 +++++++++++++++------------
 1 files changed, 15 insertions(+), 12 deletions(-)


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