Rewrite of the half-step ekin for velocity verlet, to use an integrator
commit11a19bbe5a5f6b575a6c9774c2bd60e40a4930f5
authorMichael Shirts <michael.shirts@virginia.edu>
Fri, 4 Dec 2009 03:39:54 +0000 (3 22:39 -0500)
committerMichael Shirts <michael.shirts@virginia.edu>
Fri, 4 Dec 2009 03:39:54 +0000 (3 22:39 -0500)
treeb1699962932e1c09e5fdb8de289d51726d6b322f
parent891746d7b01e8ec4739c3527502ba10962c3dac4
Rewrite of the half-step ekin for velocity verlet, to use an integrator
instead of an environment variable.  Makes the code a bit simpler.
include/types/enums.h
include/types/inputrec.h
include/update.h
src/gmxlib/names.c
src/kernel/md.c
src/kernel/readir.c
src/mdlib/constr.c
src/mdlib/coupling.c
src/mdlib/sim_util.c
src/mdlib/stat.c
src/mdlib/update.c