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6113169a47
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IWYU based include statement cleanup
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2020-09-02 17:39:34 -04:00 |
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4a1acffde9
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whitespace fixes
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2020-07-09 19:36:58 -04:00 |
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9e83279887
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minor adjustments to new reset_mol_ids command
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2020-07-09 15:40:24 -06:00 |
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d3853af4be
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add singlezero keyword to compute fragment/atom to give all single non-bonded atoms an ID of 0
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2020-07-07 17:13:43 -04:00 |
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a1011b606e
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new reset_mol_ids command
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2020-07-06 10:50:34 -06:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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378474c4e6
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more include file cleanup suggested by IWYU
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2019-06-28 02:07:18 -04:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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858065029d
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Reverse communication compute fragment/aggregate
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2017-11-12 15:57:02 -05:00 |
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c895df73d6
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skip over disabled bonds
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2017-08-20 09:49:01 -04:00 |
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35fd82b602
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trim unneeded includes
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2017-08-20 09:19:04 -04:00 |
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c5ce3ffe60
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use list of bonds per atom instead of bondlist, as that will work with shake as well
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2017-08-20 09:18:04 -04:00 |
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6f66e6c454
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add new compute fragment/atom
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2017-08-18 19:07:32 -04:00 |
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