| commit | 0c280390ca0c23cb3e091a8dc7270efcf18cde52 | |
| author | Teemu Murtola <teemu.murtola@gmail.com> | |
| Sun, 26 Feb 2017 07:12:26 +0000 (26 09:12 +0200) | ||
| committer | Teemu Murtola <teemu.murtola@gmail.com> | |
| Mon, 27 Feb 2017 06:28:08 +0000 (27 08:28 +0200) | ||
| tree | 90cbd6a870901ee84d5c16d4d29456339e76590a | treesnapshot (tar.gz zip) |
| parent | 3425c1b046da0181bebf051f7e56b97c59afd576 | commitdiff |
Remove module references from t_inputrec
Do not use t_inputrec to pass around pointers to the electric field
module, reducing it back to a value-like data structure.
For now, use gmx::MDModules to do this. This introduces an
mdlib <-> mdrunutility cyclic dependency, which is suppressed for now.
Further refactoring will again get rid of this after some futher work on
the module structure, but left it here to keep the changes smaller.
Change-Id: I05a8c8b7673e9827a1ec5ee5f48a8738026e3faf
Do not use t_inputrec to pass around pointers to the electric field
module, reducing it back to a value-like data structure.
For now, use gmx::MDModules to do this. This introduces an
mdlib <-> mdrunutility cyclic dependency, which is suppressed for now.
Further refactoring will again get rid of this after some futher work on
the module structure, but left it here to keep the changes smaller.
Change-Id: I05a8c8b7673e9827a1ec5ee5f48a8738026e3faf
17 files changed: