Commits · 2a04e41287dd9b86e5fcce026da8bef296933481 · 郑智淋 / lammps · GitLab

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Jul 13, 2019
- Add pointers between doc pages for compute hma and dynamical matrix · 2a04e412
  Andrew Schultz authored Jul 12, 2019
  
  2a04e412
- Rename Pair::pairTensor() => Pair::hessian_twobody() · 226e68a7
  Andrew Schultz authored Jul 12, 2019
  
  226e68a7
Jul 04, 2019
- More false positives · b675edcf
  Andrew Schultz authored Jul 03, 2019
  
  b675edcf
- Add request to contact if interested in more pair styles · 8e9037ac
  Andrew Schultz authored Jul 03, 2019
  
  8e9037ac
- Mention that a smoothly truncated potential works better · 5ef389ea
  Andrew Schultz authored Jul 03, 2019
  5ef389ea
Jul 02, 2019
- rename single2nd => single_hessian · ef1b62a4
  Andrew Schultz authored Jul 01, 2019
  
  ef1b62a4
- Add line for compute hma · 3cd1095d
  Andrew Schultz authored Jul 01, 2019
  
  3cd1095d
Jun 20, 2019
- Fix docs issues · fe5e9523
  Andrew Schultz authored Jun 19, 2019
  
  fe5e9523
- Merge remote-tracking branch 'upstream/master' · 87e6fda8
  Andrew Schultz authored Jun 19, 2019
  
  87e6fda8
- Merge remote-tracking branch 'upstream/master' · fe1afee8
  Andrew Schultz authored Jun 19, 2019
  
  fe1afee8
- Fold hma compute into USER-MISC · 395a9d37
  Andrew Schultz authored Jun 19, 2019
  
  395a9d37
- Fold HMA README into source code in preparation for move to MISC · 04cfaae5
  Andrew Schultz authored Jun 19, 2019
  
  04cfaae5
- Explain more about advantages of HMA, restrictions, point to examples/hma · 52a3d825
  Andrew Schultz authored Jun 19, 2019
  
  52a3d825
Jun 19, 2019
- Merge pull request #1522 from akohlmey/next_version · bb113444
  Axel Kohlmeyer authored Jun 18, 2019
  View commits for tag patch_18Jun2019 patch_18Jun2019
  
  bb113444
- Merge pull request #1518 from akohlmey/collected-small-changes · e754fb80
  Axel Kohlmeyer authored Jun 18, 2019
  e754fb80
- workaround for ICE issue with gcc 4.8.x · 98fbaef4
  Axel Kohlmeyer authored Jun 18, 2019
  
  98fbaef4
Jun 18, 2019
- step version string to 18 June 2019 · d98c105d
  Axel Kohlmeyer authored Jun 18, 2019
  
  d98c105d
- mention alternate build environment generators for cmake · 961dcfc2
  Axel Kohlmeyer authored Jun 18, 2019
  
  961dcfc2
- flag and document that USER-TALLY computes are not compatible with dynamic groups · 81cdce9b
  Axel Kohlmeyer authored Jun 18, 2019
  
  81cdce9b
- flag a couple more packages that contain sub-builds of downloaded code · 995b6b31
  Axel Kohlmeyer authored Jun 17, 2019
  
  995b6b31
- update log files for kolmogorov/crespi/full potential · e9666f58
  Axel Kohlmeyer authored Jun 17, 2019
  
  e9666f58
- adapt for Ninja build tool, which cannot handle sub-builds and fortran · f4f4a7c8
  Axel Kohlmeyer authored Jun 17, 2019
  f4f4a7c8
- make building tools (msi2lmp, chain.x) an option, which is off by default · 5fc3081a
  Axel Kohlmeyer authored Jun 17, 2019
  
  5fc3081a
- Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-messages · a39a35af
  Axel Kohlmeyer authored Jun 17, 2019
  a39a35af
- Merge pull request #1516 from gtribello/master · 1452d3d2
  Axel Kohlmeyer authored Jun 17, 2019
  1452d3d2
- Merge pull request #1513 from akohlmey/user-tally-vs-hybrid · 2dea4eb0
  Axel Kohlmeyer authored Jun 17, 2019
  2dea4eb0
- Merge pull request #1510 from evoyiatzis/respa_class_2 · 5d73b079
  Axel Kohlmeyer authored Jun 17, 2019
  5d73b079
- Merge pull request #1507 from athomps/yarray · 93fd33aa
  Axel Kohlmeyer authored Jun 17, 2019
  93fd33aa
- Merge pull request #1476 from uihsnv/log_spacing · 6536399f
  Axel Kohlmeyer authored Jun 17, 2019
  6536399f
- Merge pull request #1430 from ndtrung81/gpu-neigh-hybrid · 2f29bd29
  Axel Kohlmeyer authored Jun 17, 2019
  2f29bd29
Jun 17, 2019
- fix typo · b1458cee
  Axel Kohlmeyer authored Jun 17, 2019
  
  b1458cee
- update kolmogorov/crespi/full example input for recent change in REBO · 92615bda
  Axel Kohlmeyer authored Jun 17, 2019
  
  92615bda
- remove memory leak by freeing custom MPI data types · 4c0cd0a0
  Axel Kohlmeyer authored Jun 17, 2019
  
  4c0cd0a0
- make valgrind happy by fully initializing line buffer for thermo output · fd93c27d
  Axel Kohlmeyer authored Jun 17, 2019
  
  fd93c27d
- clarify template error/warning message · 4178c516
  jrgissing authored Jun 16, 2019
  
  4178c516
- Merge pull request #49 from lammps/master · fd20a060
  Jacob Gissinger authored Jun 16, 2019
  fd20a060
- Using force_timeout call instead of throwing error for plumed stop · 75e2981b
  Gareth Tribello authored Jun 16, 2019
  
  75e2981b
Jun 16, 2019
- Added call to PLUMED with setStopFlag so that PLUMED can stop LAMMPS if it... · 98d9a9a4
  Gareth Tribello authored Jun 16, 2019
  98d9a9a4
Jun 15, 2019
- do not run tally callback setup multiple times per time step · e73b34a5
  Axel Kohlmeyer authored Jun 14, 2019
  
  e73b34a5
- Add single2nd_enable flag for Pair · 622cfd57
  Andrew Schultz authored Jun 14, 2019
  
  622cfd57

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