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Merge branch 'release-2018' into master
author
Aleksei Iupinov
<a.yupinov@gmail.com>
Thu, 8 Feb 2018 10:47:06 +0000
(11:47 +0100)
committer
Aleksei Iupinov
<a.yupinov@gmail.com>
Thu, 8 Feb 2018 10:48:10 +0000
(11:48 +0100)
Manually modified:
src/programs/mdrun/md.cpp (to uncomment done_ebin())
Change-Id: Ic3887c40668f69e69ee8da15d210721b8bd3e95f
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src/gromacs/gmxlib/nonbonded/nb_generic.cpp
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src/gromacs/listed-forces/bonded.cpp
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src/gromacs/mdlib/forcerec.cpp
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src/gromacs/mdlib/mdebin.cpp
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src/gromacs/mdlib/tpi.cpp
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src/programs/mdrun/md.cpp
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diff --cc
src/gromacs/gmxlib/nonbonded/nb_generic.cpp
Simple merge
diff --cc
src/gromacs/listed-forces/bonded.cpp
Simple merge
diff --cc
src/gromacs/mdlib/forcerec.cpp
Simple merge
diff --cc
src/gromacs/mdlib/mdebin.cpp
Simple merge
diff --cc
src/gromacs/mdlib/tpi.cpp
Simple merge
diff --cc
src/programs/mdrun/md.cpp
index bda2386e9ba38682a3136781234ff52d87c274a1,a4d07c9167bfcc9580dcb26ad719d6c8c38f8319..add69850754014f5fb7cbdf0a4742eba54bed71c
---
1
/
src/programs/mdrun/md.cpp
---
2
/
src/programs/mdrun/md.cpp
+++ b/
src/programs/mdrun/md.cpp
@@@
-1984,7
-1991,8
+1984,7
@@@
double gmx::do_md(FILE *fplog, t_commre
eprAVER, mdebin, fcd, groups, &(ir->opts), ir->awh);
}
}
-
- // TODO Enable the next line when merging to master branch
- // done_ebin(mdebin->ebin);
++ done_ebin(mdebin->ebin);
done_mdoutf(outf);
if (bPMETune)