Commits · a5a1706f82e50e07bf40eb03c4a8ed4db044c148 · 郑智淋 / lammps · GitLab

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Jul 11, 2020
- Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data · a5a1706f
  Steve Plimpton authored Jul 10, 2020
  
  a5a1706f
- write_data support for body style rounded/polyhedron · 92d225a6
  Steve Plimpton authored Jul 10, 2020
  
  92d225a6
- add checks for atom style bond with newton off. add basic test for atom style angle · a28db101
  Axel Kohlmeyer authored Jul 10, 2020
  
  a28db101
- whitespace fixes · 0825e71a
  Axel Kohlmeyer authored Jul 10, 2020
  
  0825e71a
- enables body style rounded/polygon to write to data files · 9b3ffa54
  Steve Plimpton authored Jul 10, 2020
  
  9b3ffa54
Jul 10, 2020
- finalize atom style tester changes · a402de41
  Axel Kohlmeyer authored Jul 10, 2020
  
  a402de41
- update tester for renaming reset_ids to reset_atom_ids · 772d75a6
  Axel Kohlmeyer authored Jul 10, 2020
  
  772d75a6
- Merge branch 'reset-molecules' into write-bonus-data · df63d414
  Axel Kohlmeyer authored Jul 10, 2020
  
  df63d414
- add initial implementation for atom style bond tester · 8102045f
  Axel Kohlmeyer authored Jul 10, 2020
  
  8102045f
- add space for terminating NULL byte in MPIIO dump styles. · 9be30dcf
  Axel Kohlmeyer authored Jul 10, 2020
  9be30dcf
- avoid segfaults if fewer than 10 atoms or bounding box length is zero · 0c89b517
  Axel Kohlmeyer authored Jul 10, 2020
  
  0c89b517
- start tester for atom style hybrid full ellipsoid · ab683a03
  Axel Kohlmeyer authored Jul 10, 2020
  
  ab683a03
- more death tests to reach 100% coverage · f0af7c68
  Axel Kohlmeyer authored Jul 09, 2020
  
  f0af7c68
- update and expand tester code for reset_mol_ids changes · d15264a6
  Axel Kohlmeyer authored Jul 09, 2020
  
  d15264a6
- remove debug code · bade009b
  Axel Kohlmeyer authored Jul 09, 2020
  
  bade009b
- count total number of styles including aliases, suffixes, and undocumented · 49780480
  Axel Kohlmeyer authored Jul 09, 2020
  
  49780480
- make compress yes the default · 9ec77585
  Axel Kohlmeyer authored Jul 09, 2020
  
  9ec77585
- adjust regex for removed styles to correctly handle command styles · 9c97ca11
  Axel Kohlmeyer authored Jul 09, 2020
  
  9c97ca11
- simplify formulations a little bit. update example command lines · e0e24799
  Axel Kohlmeyer authored Jul 09, 2020
  
  e0e24799
- whitespace fixes · 4a1acffd
  Axel Kohlmeyer authored Jul 09, 2020
  
  4a1acffd
- minor adjustments to new reset_mol_ids command · 9e832798
  Steve Plimpton authored Jul 09, 2020
  
  9e832798
Jul 09, 2020
- update for atom style ellipsoid tester · f71513f4
  Axel Kohlmeyer authored Jul 09, 2020
  
  f71513f4
- add test module for atom style line · cc9df9a7
  Axel Kohlmeyer authored Jul 09, 2020
  
  cc9df9a7
- add missing aspherical particle info to restart files · 71f13cee
  Axel Kohlmeyer authored Jul 09, 2020
  
  71f13cee
- don't do zero byte allocations · d7efa8d5
  Axel Kohlmeyer authored Jul 09, 2020
  
  d7efa8d5
- 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

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