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Use std::vector for trotter_seq
2018-12-27 Kevin BoydUse std::vector for trotter_seq
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2018-12-27 Kevin BoydMake all thread-mpi threads release cr structure
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2018-12-27 Kevin BoydRemove unused function declarations in update.h
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2018-12-26 Kevin BoydFix small leaks in do_md cleanup
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2018-12-21 Kevin BoydFree global_stat at end of do_md
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2018-12-21 Kevin BoydCall wallcycle counter cleanup function
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2018-12-21 Kevin BoydFix leak in legacymdrunoptions
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2018-12-21 Kevin BoydFix small leak in forcerec
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2018-12-17 Kevin BoydFix memory leaks in ns cleanup
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2018-12-17 Kevin BoydFix memory leak at end of do_md
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2018-11-11 Kevin BoydAdd testing utility for in-place modification of input...
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2018-10-29 Kevin BoydAdd constructor for t_corr in gmx_msd
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2018-09-27 Kevin BoydReduce preprocessor dependency in resourcedivision.cpp
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2018-09-17 Kevin BoydAdded basic tests for gmx msd
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2018-09-03 Kevin BoydCorrect info in Berendsen p-coupling mdp option
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2018-09-02 Kevin BoydFixed bug reporting initial DLB state
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2018-08-10 Kevin BoydAdded physical validation document to the dev manual.
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2018-08-06 Kevin BoydFix gmx solvate topology updating
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2018-08-04 Kevin BoydSupport hwloc 2.x.x
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2018-07-31 Kevin BoydReport up to date hwloc version information
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2018-07-29 Kevin BoydFixed syntax error in make_gromos_rtp.py
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2018-06-14 Kevin BoydChanged documentation on common errors during minimization
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2018-06-06 Kevin BoydAdded to PME on GPU information in mdrun performance
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2018-06-01 Kevin BoydCosmetic fixes to mdp documentation
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2018-05-23 Kevin BoydRemoved "XXX non-matching atom names" Martini statement.
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2018-05-22 Kevin BoydCosmetic documentation changes
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2018-05-22 Kevin BoydMinor fixes to mdrun performance documentation
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The ultimate molecular dynamics simulation package