Added Michael Shirts long-range dispersion and repulsion corrections that are correct...
commita75bc92fb835e1ab63101e6aba8d2dd421262eb9
authorlindahl <lindahl>
Thu, 22 Jan 2004 12:10:14 +0000 (22 12:10 +0000)
committerlindahl <lindahl>
Thu, 22 Jan 2004 12:10:14 +0000 (22 12:10 +0000)
tree4df5e8d094179716f364a2605b257b858ce919ab
parent500e7a394914b7ead4a65f3c3fa846352aeab42b
Added Michael Shirts long-range dispersion and repulsion corrections that are corrected for switched functions.
Fixed the box mismatch between trajectories and energy files.
Fixed more compile-time warnings.
12 files changed:
include/force.h
include/mdebin.h
include/txtdump.h
include/types/enums.h
include/types/forcerec.h
src/gmxlib/names.c
src/gmxlib/txtdump.c
src/kernel/md.c
src/mdlib/force.c
src/mdlib/mdebin.c
src/mdlib/minimize.c
src/mdlib/sim_util.c