Commits · 99c0c1ace1dd6a33974d0a909b9c50f9c93971bc · 郑智淋 / lammps · GitLab

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May 29, 2020
- simplify parsing of equilibrium data · 99c0c1ac
  Axel Kohlmeyer authored May 29, 2020
  
  99c0c1ac
- remove debug code · 7d62fd51
  Axel Kohlmeyer authored May 29, 2020
  
  7d62fd51
- simplify reading key/value pairs from string · 797ba373
  Axel Kohlmeyer authored May 28, 2020
  
  797ba373
- add single test to angle_style, add support for equilibrium data · 08ee1cb4
  Axel Kohlmeyer authored May 28, 2020
  
  08ee1cb4
- add support for writing/reading equilibrium bond/angle data · 47e4da49
  Axel Kohlmeyer authored May 28, 2020
  
  47e4da49
- synchronize flow of control and formatting between pair_style, bond_style and angle_style · 6ed41033
  Axel Kohlmeyer authored May 28, 2020
  
  6ed41033
- add tests for pair style polymorphic · 9fc6abb2
  Axel Kohlmeyer authored May 28, 2020
  
  9fc6abb2
May 28, 2020
- tweak epsilon for gcc 10 · d3e160f3
  Axel Kohlmeyer authored May 28, 2020
  
  d3e160f3
- increase code coverage for pair_eam_cd.cpp · 51c632ac
  Axel Kohlmeyer authored May 28, 2020
  
  51c632ac
- functions theta(), theta_mod(), and cutoff() are never used in pair style bop · 245f949e
  Axel Kohlmeyer authored May 27, 2020
  
  245f949e
- tweak pair style bop unit tests to increase code coverage · e0ee0986
  Axel Kohlmeyer authored May 27, 2020
  
  e0ee0986
- Merge pull request #2108 from akohlmey/more-pair-style-tests · 315463e6
  Axel Kohlmeyer authored May 27, 2020
  315463e6
- Merge pull request #2111 from akohlmey/collected-small-changes · 69b86351
  Axel Kohlmeyer authored May 27, 2020
  69b86351
- Merge pull request #2110 from yafshar/kim · c47cbe5f
  Axel Kohlmeyer authored May 27, 2020
  c47cbe5f
- add some initial documentation about the included tests · 9bc03034
  Axel Kohlmeyer authored May 27, 2020
  
  9bc03034
- add tests for AIREBO/REBO family of potentials · 013756bf
  Axel Kohlmeyer authored May 27, 2020
  
  013756bf
- USER-INTEL tweaks for REBO family. will have to file bug reports at some point. · 78ad33eb
  Axel Kohlmeyer authored May 27, 2020
  
  78ad33eb
- remove unused variable definition · a1216c4f
  Axel Kohlmeyer authored May 27, 2020
  
  a1216c4f
- make sure we compile and link against mpi_stubs when BUILD_MPI is disabled · 9142d489
  Axel Kohlmeyer authored May 27, 2020
  
  9142d489
- update makefiles for conventional build to always build a new static library · 477e18b7
  Axel Kohlmeyer authored May 27, 2020
  
  477e18b7
- silence compiler warnings about unused arguments and variables and alike · e2765a5c
  Axel Kohlmeyer authored May 27, 2020
  
  e2765a5c
- add test for tabulated manybody styles · bb57e90a
  Axel Kohlmeyer authored May 27, 2020
  
  bb57e90a
May 27, 2020
- tests for MANYBODY almost complete · efbf9807
  Axel Kohlmeyer authored May 27, 2020
  
  efbf9807
- fix bug in pair style tersoff/zbl/omp · 7c9ad91d
  Axel Kohlmeyer authored May 27, 2020
  
  7c9ad91d
- Explicitly set the pValue pointer to NULL. · 4d237f66
  yafshar authored May 27, 2020
  4d237f66
- tweak bop test to run faster · b5b66d0e
  Axel Kohlmeyer authored May 27, 2020
  
  b5b66d0e
- tweak error margins to pass with gcc 9.x plus Release setting · 51e3cba0
  Axel Kohlmeyer authored May 27, 2020
  
  51e3cba0
- four more · 66e34f54
  Axel Kohlmeyer authored May 27, 2020
  
  66e34f54
- remove obsolete c++98 workaround warning · b208e39b
  Axel Kohlmeyer authored May 27, 2020
  
  b208e39b
- add tests for eam/cd and eim · 29bd22a7
  Axel Kohlmeyer authored May 26, 2020
  
  29bd22a7
- fix verbosity handling issue in pair style tests · 7f699e92
  Axel Kohlmeyer authored May 26, 2020
  
  7f699e92
- remove pair style eam/cd/omp which seems broken beyond repair · 2e3f03f9
  Axel Kohlmeyer authored May 26, 2020
  
  2e3f03f9
- add tests for comb and comb3 · 541ab46e
  Axel Kohlmeyer authored May 26, 2020
  
  541ab46e
- fix two memory allocation/deallocation bugs in pair style comb3 · ff3ebd4f
  Axel Kohlmeyer authored May 26, 2020
  
  ff3ebd4f
- cosmetic updates · 151d1fb4
  Axel Kohlmeyer authored May 26, 2020
  
  151d1fb4
- correct logic and also skip for USER-OMP · f1685afa
  Axel Kohlmeyer authored May 26, 2020
  
  f1685afa
- add test for bop · c91cad51
  Axel Kohlmeyer authored May 26, 2020
  
  c91cad51
- skip over newton_pair == off tests if newton_pair is forced to be on · 0f8ff07d
  Axel Kohlmeyer authored May 26, 2020
  
  0f8ff07d
- add tests for pair styles adp, atm, sw and tersoff and new data/input · dff78c19
  Axel Kohlmeyer authored May 26, 2020
  
  dff78c19
- one more correction for `cmake --build` · 5d6c18db
  Axel Kohlmeyer authored May 26, 2020
  
  5d6c18db

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