| commit | efefd3a49c043df1a846753539cb0d4e205c8701 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 30 Aug 2017 21:14:01 +0000 (30 23:14 +0200) | ||
| committer | Kasson <kasson@gmail.com> | |
| Sun, 3 Sep 2017 04:56:41 +0000 (3 06:56 +0200) | ||
| tree | cd67ca0a7464551538fbf73ee266a47970de21b8 | treesnapshot (tar.gz zip) |
| parent | f38e1c01d1118b0a694e027d317a5fa689802d29 | commitdiff |
Put mdrun options in structs
Collects all mdrun options contained in flags, plus a few more,
into a new struct MdrunOptions with sub-structs.
All boolean options still use gmx_bool, and not bool, because
the command line parsing does not support bool yet.
Moved function declarations for expanded.cpp to expanded.h.
More options can be collected, but that would increase the size
of this change even more.
Change-Id: I21ea07b443e89cbfa21986bb8bd58a5657cbfbfa
Collects all mdrun options contained in flags, plus a few more,
into a new struct MdrunOptions with sub-structs.
All boolean options still use gmx_bool, and not bool, because
the command line parsing does not support bool yet.
Moved function declarations for expanded.cpp to expanded.h.
More options can be collected, but that would increase the size
of this change even more.
Change-Id: I21ea07b443e89cbfa21986bb8bd58a5657cbfbfa
28 files changed: