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commit	5a41c4f7e0afd4a512eb4522c5b536a1567203a3
author	Mark Abraham <mark.j.abraham@gmail.com>
	Sun, 3 Jun 2018 22:54:58 +0000 (4 00:54 +0200)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Tue, 5 Jun 2018 09:59:16 +0000 (5 11:59 +0200)
tree	dc44c93b0d03a68d236fee4e64da49ab5ec71402	tree \| snapshot (tar.gz zip)
parent	893eb8e85ad94831eed37cbb8aa10930c014b0fe	commit \| diff

Make proper BoxDeformation class

Fixes several long-standing implementation issues. Also now
throws if the integrator is non-dynamical.

Change-Id: I8ca08252b467d1e03addadf4d92ce88243b37197

src/gromacs/domdec/domdec.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/boxdeformation.cpp	[new file with mode: 0644]	blob
src/gromacs/mdlib/boxdeformation.h	[new file with mode: 0644]	blob
src/gromacs/mdlib/deform.h	[deleted file]	blob \| blame \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/sim_util.h		diff \| blob \| blame \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/update.h		diff \| blob \| blame \| history
src/gromacs/mdrun/integrator.h		diff \| blob \| blame \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| blame \| history
src/gromacs/mdrun/runner.cpp		diff \| blob \| blame \| history

The ultimate molecular dynamics simulation package