Commits · 1035dcd4cc30c7b76b78db6c2e2a09535f7d1b5b · 郑智淋 / lammps · GitLab

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Jul 01, 2020
- 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
- simplify in MANYBODY and MC package · 5e183ecb
  Axel Kohlmeyer authored Jun 29, 2020
  
  5e183ecb
- simplify output in KSPACE package · 7de4655e
  Axel Kohlmeyer authored Jun 29, 2020
  
  7de4655e
- simplify class2 dihedral and improper · b1d4ca2b
  Axel Kohlmeyer authored Jun 29, 2020
  
  b1d4ca2b
- simplify pppm init output · 5e8a877f
  Axel Kohlmeyer authored Jun 29, 2020
  
  5e8a877f
- small tweak for passing r-RESPA tests with coulomb table · 385d239b
  Axel Kohlmeyer authored Jun 29, 2020
  
  385d239b
- fix typo · ab04416b
  Axel Kohlmeyer authored Jun 29, 2020
  
  ab04416b
- apply simplifications to standard packages · 3a0ae83c
  Axel Kohlmeyer authored Jun 29, 2020
  
  3a0ae83c
- final set of styles in the src folder to be simplified · a1c0b78a
  Axel Kohlmeyer authored Jun 28, 2020
  
  a1c0b78a
- step version strings for next patch release · 5585e318
  Axel Kohlmeyer authored Jun 28, 2020
  
  5585e318
- Update group.h · f94eeece
  Jacob Gissinger authored Jun 26, 2020
  
  f94eeece
- make more use of convenience functions for adding fixes and computes · 3cd1341e
  Axel Kohlmeyer authored Jun 28, 2020
  
  3cd1341e
- simplify find/delete fix/compute functions in modify.cpp · df29364b
  Axel Kohlmeyer authored Jun 28, 2020
  
  df29364b
- use simplified group->assign · f670464a
  Axel Kohlmeyer authored Jun 28, 2020
  
  f670464a
- add group::assign convenience version · f0a983b4
  Jacob Gissinger authored Jun 26, 2020
  
  f0a983b4

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