Commits · 0679c01c4b7c12607cf0ecd362d0a970d86942ca · 郑智淋 / lammps · GitLab

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Jul 09, 2020
- add suppressions for googletest · 0679c01c
  Axel Kohlmeyer authored Jul 09, 2020
  
  0679c01c
- zero out additionally allocated struct Param storage · 2b1ca89b
  Axel Kohlmeyer authored Jul 09, 2020
  
  2b1ca89b
- more OpenMPI suppressions · ea5015c6
  Axel Kohlmeyer authored Jul 08, 2020
  
  ea5015c6
- fix initialition issue · d0cfb0cc
  Axel Kohlmeyer authored Jul 08, 2020
  
  d0cfb0cc
- ewald_order needs to be saved in restart · e18a11d6
  Axel Kohlmeyer authored Jul 08, 2020
  
  e18a11d6
- fix memory leak in pair style sw/intel for good · bebd1071
  Axel Kohlmeyer authored Jul 08, 2020
  
  bebd1071
- fix typo · 909bc5a8
  Axel Kohlmeyer authored Jul 08, 2020
  
  909bc5a8
- will need ellipsoid field in restart file · 7ee73e44
  Axel Kohlmeyer authored Jul 08, 2020
  
  7ee73e44
- complete testing ellipsoids short of having restart support. · 4da8ec39
  Axel Kohlmeyer authored Jul 08, 2020
  
  4da8ec39
- must copy/multiply the numbers of ellipsoids,lines,tris,bodies · ecc5d3e3
  Axel Kohlmeyer authored Jul 08, 2020
  
  ecc5d3e3
- avoid memory leak in pair style sw/intel · 7071cff4
  Axel Kohlmeyer authored Jul 08, 2020
  
  7071cff4
- some more OpenMPI suppressions · 240c33b5
  Axel Kohlmeyer authored Jul 08, 2020
  
  240c33b5
- avoid leaking empty allocations · f59e3917
  Axel Kohlmeyer authored Jul 08, 2020
  
  f59e3917
- use fmtlib for writing data file coefficients. use mixed coefficients for PairIJCoeffs · 2016333c
  Axel Kohlmeyer authored Jul 08, 2020
  
  2016333c
- several fixes to address issues detected by valgrind · 75913437
  Axel Kohlmeyer authored Jul 08, 2020
  75913437
- avoid googletest stalling on exit tests when using OpenMPI · 5918d9e6
  Axel Kohlmeyer authored Jul 08, 2020
  
  5918d9e6
- avoid illegal free() · bda24533
  Axel Kohlmeyer authored Jul 08, 2020
  
  bda24533
Jul 08, 2020
- synchronize exception based and non-exception based code paths · 6cd2c8d1
  Axel Kohlmeyer authored Jul 08, 2020
  
  6cd2c8d1
- refactor tester · d6665aba
  Axel Kohlmeyer authored Jul 06, 2020
  
  d6665aba
- use auto to simplify · a43428fd
  Axel Kohlmeyer authored Jul 07, 2020
  
  a43428fd
- silence compiler warnings · cd739c27
  Axel Kohlmeyer authored Jul 07, 2020
  
  cd739c27
- simplify · 1898fae3
  Axel Kohlmeyer authored Jul 07, 2020
  
  1898fae3
- add missing MPI call · 5cef86d7
  Axel Kohlmeyer authored Jul 07, 2020
  
  5cef86d7
- make more use of fmtlib and replace fprintf with fputs where possible · 8fbc8a71
  Axel Kohlmeyer authored Jul 07, 2020
  
  8fbc8a71
- use parenthesis to correct precedence · c0f14723
  Axel Kohlmeyer authored Jul 07, 2020
  
  c0f14723
- remove unused variable · 6e3e13f2
  Axel Kohlmeyer authored Jul 07, 2020
  
  6e3e13f2
- remove unneeded typecasts and use fmt::print() instead of fprintf() · 9a268da7
  Axel Kohlmeyer authored Jul 07, 2020
  
  9a268da7
- remove unneeded typecasts · 4c67822e
  Axel Kohlmeyer authored Jul 07, 2020
  
  4c67822e
- whitespace fixes · e459ee8a
  Axel Kohlmeyer authored Jul 07, 2020
  
  e459ee8a
- resolve conflicts · 88fc9360
  Steve Plimpton authored Jul 07, 2020
  
  88fc9360
- add body support, change bonus buf to 1d so can be variable length · 955bff7c
  Steve Plimpton authored Jul 07, 2020
  
  955bff7c
- add (initial) testing for ellipsoid atom style · 7e140399
  Axel Kohlmeyer authored Jul 07, 2020
  
  7e140399
- shape is converted from diameter to radius, so we have to scale back on writing · f16c6f40
  Axel Kohlmeyer authored Jul 07, 2020
  
  f16c6f40
Jul 07, 2020
- no typecasts needed when outputting ubuf integers with fmtlib auto format · 94d98b6a
  Axel Kohlmeyer authored Jul 07, 2020
  
  94d98b6a
- add missing return statements · bdac1ae3
  Axel Kohlmeyer authored Jul 07, 2020
  
  bdac1ae3
- small tweak · 16920679
  Axel Kohlmeyer authored Jul 07, 2020
  
  16920679
- enable write_data for atom styles with bonus data · 7918919d
  Steve Plimpton authored Jul 06, 2020
  
  7918919d
- Merge pull request #2216 from ndtrung81/tersoff-gpu · 6bf32909
  Axel Kohlmeyer authored Jul 06, 2020
  6bf32909
- Merge pull request #2214 from akohlmey/kspace-tests · 9e96b717
  Axel Kohlmeyer authored Jul 06, 2020
  9e96b717
- Merge pull request #2211 from athomps/compute-mliap · 2977a8aa
  Axel Kohlmeyer authored Jul 06, 2020
  2977a8aa

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