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commit	f2854f89deb479835c02855e107bbe03b16e98b9
author	Berk Hess <hess@kth.se>
	Mon, 15 Aug 2016 09:51:56 +0000 (15 11:51 +0200)
committer	Berk Hess <hess@kth.se>
	Wed, 12 Oct 2016 07:08:51 +0000 (12 09:08 +0200)
tree	6bfc4df0b8426d34a3abd892d0ff02a5a4f57b35	tree \| snapshot (tar.gz zip)
parent	69470fc4e9fd990eb53b22c17dc7a699c583d126	commit \| diff

Refactor NPT energy calculation

The NPT conserved energy quantity calculation is now managed by
a single function with separate functions for each thermo- and
barostat.

Change-Id: Id7cf431e4da78bffe33caaddb0a7c806c9c29091

The ultimate molecular dynamics simulation package

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src/gromacs/mdlib/coupling.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/md_support.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/md_support.h		diff \| blob \| blame \| history
src/gromacs/mdlib/update.h		diff \| blob \| blame \| history
src/programs/mdrun/md.cpp		diff \| blob \| blame \| history