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(parent: 2b556ca) | patch
Add hack to fix genbox
authorMark Abraham <mark.j.abraham@gmail.com>
Sat, 1 Feb 2014 20:03:46 +0000 (21:03 +0100)
committerTeemu Murtola <teemu.murtola@gmail.com>
Mon, 3 Feb 2014 04:47:26 +0000 (05:47 +0100)
commit96fb3956baa3b8c1956a0079fd7c78152f581639
treee32bbef11481b348350829468b733ee1cf56659dtree | snapshot
parent2b556caadd41024ed896c82d4519c2f0f8a0c30dcommit | diff
Add hack to fix genbox

Using a lighter-weight neighbour search is a better idea, but this bug
needs fixing right now.

Add integration tests for major functionality of genbox. These pass
only with the fix in this patch. These are not the most glorious
tests, but as demonstrated by this bug, "does not segfault in routine
workflows" is useful.

Fixes #1393

Change-Id: I5628f52cd91dcb64d66e690b2e611e524f450972
src/gromacs/gmxpreprocess/CMakeLists.txt diff | blob | history
src/gromacs/gmxpreprocess/genbox-addconf.c diff | blob | history
src/gromacs/gmxpreprocess/genbox.cpp diff | blob | history
src/gromacs/gmxpreprocess/tests/CMakeLists.txt [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/tests/genbox.cpp [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/tests/spc-and-methanol.gro [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/tests/spc-and-methanol.top [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/tests/spc216.gro [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/tests/x.gro [new file with mode: 0644] blob
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