Commits · 4d4ae93ef86e1b9399027988b64e520fc03b6ac7 · 郑智淋 / lammps · GitLab

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Jul 18, 2020
- 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 16, 2020
- 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 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
- Fix issues in Kokkos fix qeq/reax · a392f212
  Stan Moore authored Jul 15, 2020
  
  a392f212
- add recently added names to false positives list · 8949b2f1
  Axel Kohlmeyer authored Jul 15, 2020
  
  8949b2f1
- Merge pull request #2231 from stanmoore1/reax_hybrid · 7a312ca8
  Axel Kohlmeyer authored Jul 15, 2020
  7a312ca8
- Update fix_widom.rst · 28ee8351
  Evangelos Voyiatzis authored Jul 15, 2020
  
  28ee8351
- Update false_positives.txt · 1a738f80
  Evangelos Voyiatzis authored Jul 15, 2020
  
  1a738f80
- Merge pull request #2234 from akohlmey/collected-small-fixes · 4cbe0954
  Axel Kohlmeyer authored Jul 15, 2020
  4cbe0954
- first attempt of a documentation file · 41a7557c
  Evangelos Voyiatzis authored Jul 15, 2020
  
  41a7557c
- Add missing sync · 74aa1d48
  Stan Moore authored Jul 15, 2020
  
  74aa1d48
Jul 15, 2020
- use fmtlib to remove BIGINT_FORMAT · b37b45c8
  Axel Kohlmeyer authored Jul 15, 2020
  
  b37b45c8
- print warning for unknown/unsupported CUDA versions · aa826081
  Axel Kohlmeyer authored Jul 15, 2020
  
  aa826081
- update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11 · a082895b
  Axel Kohlmeyer authored Jul 15, 2020
  
  a082895b
- guard better against 32-bit overflows for reax/c lists · 2580ca78
  Axel Kohlmeyer authored Jul 15, 2020
  
  2580ca78
- don't use error class if pointer variable has not been initialized · e3818f03
  Axel Kohlmeyer authored Jul 15, 2020
  
  e3818f03
- update intel compiler requirements and document alignment issues · d37bb0fd
  Axel Kohlmeyer authored Jul 14, 2020
  
  d37bb0fd
- Merge branch 'master' into collected-small-fixes · 1ddd8aa9
  Axel Kohlmeyer authored Jul 14, 2020
  
  1ddd8aa9
Jul 14, 2020
- Don't need virtual keyword · dcbdc745
  Stan Moore authored Jul 14, 2020
  
  dcbdc745
- Fix issue with Kokkos ReaxFF and pair hybrid · 001dcb6b
  Stan Moore authored Jul 14, 2020
  
  001dcb6b
- Merge pull request #2229 from ellio167/pair_kim_before_box · 9068d17a
  Axel Kohlmeyer authored Jul 14, 2020
  9068d17a
- source code for fix widom · a88237df
  Evangelos Voyiatzis authored Jul 14, 2020
  
  a88237df
- simplify and make more readable using utils:: functions · e5d532c2
  Axel Kohlmeyer authored Jul 13, 2020
  
  e5d532c2
- tweak output format · 40e3fcd7
  Axel Kohlmeyer authored Jul 13, 2020
  
  40e3fcd7
- remove unused class members · 46675361
  Axel Kohlmeyer authored Jul 13, 2020
  
  46675361
- tweak box output format to include decimal point · 315c829b
  Axel Kohlmeyer authored Jul 13, 2020
  
  315c829b

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