Commits · 65bf187a39d0e2a9bfd2b3295b56bc988fc9b165 · 郑智淋 / lammps · GitLab

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Jul 19, 2020
- update version string for patch release · 65bf187a
  Axel Kohlmeyer authored Jul 18, 2020
  
  65bf187a
Jul 18, 2020
- Merge pull request #2230 from evoyiatzis/widom · 211beaee
  Axel Kohlmeyer authored Jul 18, 2020
  211beaee
- add Widom spc/e example · 55c3d139
  Axel Kohlmeyer authored Jul 17, 2020
  
  55c3d139
- add missing group names in fix widom. refactor group definition in fix widom and gcmc · 4d4ae93e
  Axel Kohlmeyer authored Jul 17, 2020
  
  4d4ae93e
- accept const std::string as argument in Group::find() · 93ed07f4
  Axel Kohlmeyer authored Jul 17, 2020
  
  93ed07f4
- whitespace cleanup · 0e6531e2
  Axel Kohlmeyer authored Jul 17, 2020
  
  0e6531e2
- avoid floating point exception (log(0)) · 117499e8
  Axel Kohlmeyer authored Jul 17, 2020
  
  117499e8
- add lj example for fix widom · c9342aec
  Axel Kohlmeyer authored Jul 17, 2020
  
  c9342aec
Jul 17, 2020
- Merge pull request #2228 from athomps/compute-mliap · 585ed5e1
  Axel Kohlmeyer authored Jul 16, 2020
  585ed5e1
- whitespace fixes · e98056c0
  Axel Kohlmeyer authored Jul 16, 2020
  
  e98056c0
- add missing empty line · 31cfc99a
  Axel Kohlmeyer authored Jul 16, 2020
  
  31cfc99a
- Merge branch 'master' into compute-mliap · 52715cc8
  Axel Kohlmeyer authored Jul 16, 2020
  
  52715cc8
- Merge pull request #2219 from lammps/write-bonus-data · ad02d7a5
  Axel Kohlmeyer authored Jul 16, 2020
  ad02d7a5
- allow fix nvt/body npt/body and nph/body to be used for groups other than "all" · 34fdfb6b
  Axel Kohlmeyer authored Jul 16, 2020
  
  34fdfb6b
- make sure output buffer is initialized · 92f194ac
  Axel Kohlmeyer authored Jul 16, 2020
  
  92f194ac
- simplify · f344629a
  Axel Kohlmeyer authored Jul 16, 2020
  
  f344629a
- fix typo · 209d3ff3
  Axel Kohlmeyer authored Jul 16, 2020
  
  209d3ff3
- Merge branch 'master' into write-bonus-data · 35b03001
  Axel Kohlmeyer authored Jul 16, 2020
  
  35b03001
Jul 16, 2020
- Merge pull request #2206 from ohenrich/mc-fix-bond-create-angle · 9a13ad52
  Axel Kohlmeyer authored Jul 16, 2020
  9a13ad52
- Merge branch 'master' into write-bonus-data · ee10b200
  Axel Kohlmeyer authored Jul 15, 2020
  
  ee10b200
- reformat and rephrase text about availability of fix bond/create/angle only keyword · 25a836b7
  Axel Kohlmeyer authored Jul 15, 2020
  
  25a836b7
- add fix bond/create/angle to list in Fix command page · 52b30b11
  Axel Kohlmeyer authored Jul 15, 2020
  
  52b30b11
- Merge branch 'master' into mc-fix-bond-create-angle · d7ef1b00
  Axel Kohlmeyer authored Jul 15, 2020
  
  d7ef1b00
- fix broken line wrap. · 29e2c82d
  Axel Kohlmeyer authored Jul 15, 2020
  
  29e2c82d
- make frenkel book anchors globally unique · 4dc61f7f
  Axel Kohlmeyer authored Jul 15, 2020
  
  4dc61f7f
- change from DOS/Windows CR/LF to LF · 300beb81
  Axel Kohlmeyer authored Jul 15, 2020
  
  300beb81
- fully integrate fix widom into manual. fix some style issues and reindent · 3287f1cd
  Axel Kohlmeyer authored Jul 15, 2020
  
  3287f1cd
- Merge branch 'master' into widom · 94464f53
  Axel Kohlmeyer authored Jul 15, 2020
  
  94464f53
- move fix widom from USER-MISC to MC package · 581d47a1
  Axel Kohlmeyer authored Jul 15, 2020
  
  581d47a1
- Merge pull request #2237 from yafshar/memory · 438346a9
  Axel Kohlmeyer authored Jul 15, 2020
  438346a9
- Merge pull request #2236 from stanmoore1/kk_qeq_nevery · dff2e93e
  Axel Kohlmeyer authored Jul 15, 2020
  dff2e93e
- Fix the system-dependent function call to `malloc_usable_size`. · 508a38a7
  Yaser Afshar authored Jul 15, 2020
  508a38a7
- Merge branch 'master' of https://github.com/lammps/lammps into kk_qeq_nevery · 71344aaa
  Stan Moore authored Jul 15, 2020
  
  71344aaa
- Merge branch 'master' into write-bonus-data · 181b7cf3
  Axel Kohlmeyer authored Jul 15, 2020
  
  181b7cf3
- Merge pull request #2212 from akohlmey/compute-chunk-scalar · 0105d1ca
  Axel Kohlmeyer authored Jul 15, 2020
  0105d1ca
- Merge pull request #2218 from lammps/reset-molecules · 1021f575
  Axel Kohlmeyer authored Jul 15, 2020
  1021f575
- Changed paragraph as per request · dee38c26
  Oliver Henrich authored Jul 15, 2020
  
  dee38c26
- Fix issues in Kokkos fix qeq/reax · a392f212
  Stan Moore authored Jul 15, 2020
  
  a392f212
- don't set CMAKE_TUNE_FLAGS to anything by default · 73a076da
  Axel Kohlmeyer authored Jul 15, 2020
  
  73a076da
- add recently added names to false positives list · 8949b2f1
  Axel Kohlmeyer authored Jul 15, 2020
  
  8949b2f1

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