Commits · 47d77530e27f04077c66f9e67eeb80638ec2627c · 郑智淋 / lammps · GitLab

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Jul 06, 2020
- updated as requested by @sjplimp · 47d77530
  Axel Kohlmeyer authored Jul 06, 2020
  
  47d77530
- add a paragraph to the output howto explaining how ambiguity is resolved · 022252dd
  Axel Kohlmeyer authored Jul 06, 2020
  
  022252dd
Jul 04, 2020
- add option to compute chunk/atom to access the number of chunks as a global scalar · 14321d1f
  Axel Kohlmeyer authored Jul 03, 2020
  
  14321d1f
Jul 01, 2020
- Merge pull request #2203 from akohlmey/collected-small-changes · 558d2eb8
  Axel Kohlmeyer authored Jul 01, 2020
  558d2eb8
- silence compiler warnings · 0a9dd812
  Axel Kohlmeyer authored Jul 01, 2020
  
  0a9dd812
- revive (some) dead code and add missing force computation/addition · 0363fe9b
  Axel Kohlmeyer authored Jul 01, 2020
  
  0363fe9b
- add missing lines for atom_vec comm bugfix · 971ca4fe
  Axel Kohlmeyer authored Jun 30, 2020
  
  971ca4fe
- still more dead code · 503a1f22
  Axel Kohlmeyer authored Jun 30, 2020
  
  503a1f22
- remove more dead code · 8fd46095
  Axel Kohlmeyer authored Jun 30, 2020
  
  8fd46095
- bugfix for hybrid atom styles from @sjplimp fixing bug reported by @ohenrich · 92794315
  Axel Kohlmeyer authored Jun 30, 2020
  
  92794315
- dead code removal · 4492d616
  Axel Kohlmeyer authored Jun 30, 2020
  
  4492d616
- reduce compiler warnings about unused parameters · 778d431d
  Axel Kohlmeyer authored Jun 30, 2020
  
  778d431d
- remove unused variable · 10dcb087
  Axel Kohlmeyer authored Jun 30, 2020
  
  10dcb087
- remove trailing whitespace · 6af407d0
  Axel Kohlmeyer authored Jun 30, 2020
  
  6af407d0
- fix possible bug in compute sna · 1035dcd4
  Axel Kohlmeyer authored Jun 30, 2020
  
  1035dcd4
- use a hard error instead of changing settings without updating the underlying... · 19ee89fa
  Axel Kohlmeyer authored Jun 30, 2020
  19ee89fa
- whitespace fixes · ad38b5d3
  Axel Kohlmeyer authored Jun 30, 2020
  
  ad38b5d3
- remove dead code and unused variables · edfb4076
  Axel Kohlmeyer authored Jun 30, 2020
  
  edfb4076
- secs -> seconds · eafcc066
  Axel Kohlmeyer authored Jun 30, 2020
  
  eafcc066
- reduce output precision · d4c74551
  Axel Kohlmeyer authored Jun 30, 2020
  
  d4c74551
- must not delete atom substyles twice · b34b58c7
  Axel Kohlmeyer authored Jun 30, 2020
  
  b34b58c7
- Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes · cccd04f4
  Axel Kohlmeyer authored Jun 30, 2020
  
  cccd04f4
Jun 30, 2020
- reduce excess precision in some output data · 7488f229
  Axel Kohlmeyer authored Jun 30, 2020
  
  7488f229
- reduce excess precision in some output data · 2a2219d0
  Axel Kohlmeyer authored Jun 30, 2020
  
  2a2219d0
- std::string.find_last_of() wants a string not a character as argument · 911b95fd
  Axel Kohlmeyer authored Jun 29, 2020
  
  911b95fd
- temporarily add atom style full to list of dependencies for Pair::single() test · f958cacb
  Axel Kohlmeyer authored Jun 29, 2020
  
  f958cacb
- tweak epsilon to make test pass with optimization · ce4ca0e6
  Axel Kohlmeyer authored Jun 29, 2020
  
  ce4ca0e6
- Merge pull request #2200 from akohlmey/next_lammps_version · a73f1d4f
  Axel Kohlmeyer authored Jun 29, 2020
  View commits for tag patch_30Jun2020 patch_30Jun2020
  
  a73f1d4f
- Merge pull request #2201 from akohlmey/more-fmtlib-use · 88a574ff
  Axel Kohlmeyer authored Jun 29, 2020
  88a574ff
- nb3b/harmonic parameters are in real units · 5c08ce08
  Axel Kohlmeyer authored Jun 29, 2020
  
  5c08ce08
- Merge branch 'master' into more-fmtlib-use · 3eda735d
  Axel Kohlmeyer authored Jun 29, 2020
  
  3eda735d
- simplifications in REPLICA · 6ace98b6
  Axel Kohlmeyer authored Jun 29, 2020
  
  6ace98b6
- Merge pull request #2199 from akohlmey/more-internal-convenience · 5263e457
  Axel Kohlmeyer authored Jun 29, 2020
  5263e457
Jun 29, 2020
- avoid bogus error exit when openting potential files without units · 1e6e2378
  Axel Kohlmeyer authored Jun 29, 2020
  
  1e6e2378
- Merge branch 'master' into more-internal-convenience · e6c4036a
  Axel Kohlmeyer authored Jun 29, 2020
  e6c4036a
- more output cleanup in MISC, MLIAP, MOLECULE, and POEMS · 96d94351
  Axel Kohlmeyer authored Jun 29, 2020
  
  96d94351
- Merge pull request #2198 from akohlmey/more-unit-convert-support · d84a4770
  Axel Kohlmeyer authored Jun 29, 2020
  d84a4770
- Merge pull request #2188 from stanmoore1/kk_snap_ice · 9c762b96
  Axel Kohlmeyer authored Jun 29, 2020
  9c762b96
- Merge pull request #2195 from jrgissing/bond/react-reformat · f46ba326
  Axel Kohlmeyer authored Jun 29, 2020
  f46ba326
- Merge pull request #7 from charlessievers/kk_snap_ice · 6de33bc6
  Stan Moore authored Jun 29, 2020
  6de33bc6

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