| commit | af16fa2fcd0ad21a708cb7abaafd7f6d469be08d | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 23 May 2018 08:09:35 +0000 (23 10:09 +0200) | ||
| committer | Berk Hess <hess@kth.se> | |
| Thu, 14 Jun 2018 08:45:47 +0000 (14 10:45 +0200) | ||
| tree | 1a74d20dc1300e6605c4efc59317daa74f978cb1 | treesnapshot (tar.gz zip) |
| parent | abb0e3c6df03e7357eba8468f15adf0ef6cc0042 | commitdiff |
Minimization now detects infinite forces
With non-finite forces, energy minimization now prints a non-converged
message mentioning non-finite forces instead of the machine precision
message.
Change-Id: I7428fe4e54304b6cd2a9843445fb3c3d2ab7bc9b
With non-finite forces, energy minimization now prints a non-converged
message mentioning non-finite forces instead of the machine precision
message.
Change-Id: I7428fe4e54304b6cd2a9843445fb3c3d2ab7bc9b
| src/gromacs/mdrun/minimize.cpp | diffblobblamehistory |