Commits · 4a1acffde989f37b50b010c75589980bc67d98c4 · 郑智淋 / lammps · GitLab

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Jul 10, 2020
- whitespace fixes · 4a1acffd
  Axel Kohlmeyer authored Jul 09, 2020
  
  4a1acffd
- minor adjustments to new reset_mol_ids command · 9e832798
  Steve Plimpton authored Jul 09, 2020
  
  9e832798
Jul 08, 2020
- update reset_mol_ids tests for the latest changes · 416467a1
  Axel Kohlmeyer authored Jul 07, 2020
  
  416467a1
- add support for auto offset and singlezero option · fd95fc98
  Axel Kohlmeyer authored Jul 07, 2020
  
  fd95fc98
- add singlezero keyword to compute fragment/atom to give all single non-bonded atoms an ID of 0 · d3853af4
  Axel Kohlmeyer authored Jul 07, 2020
  
  d3853af4
- whitespace cleanup · 12f62583
  Axel Kohlmeyer authored Jul 07, 2020
  
  12f62583
- Merge branch 'reset-molecules' of github.com:lammps/lammps into reset-molecules · 5c59f6af
  Axel Kohlmeyer authored Jul 07, 2020
  
  5c59f6af
- small cleanup in "deprecated" styles · 37d56a6b
  Axel Kohlmeyer authored Jul 07, 2020
  
  37d56a6b
- rename reset_ids command to reset_atom_ids · 94e9b3bc
  Axel Kohlmeyer authored Jul 07, 2020
  
  94e9b3bc
Jul 07, 2020
- final details for offset keyword added to reset_mol_ids · 0944eda3
  Steve Plimpton authored Jul 07, 2020
  
  0944eda3
- added note to doc page · 7870a891
  Steve Plimpton authored Jul 07, 2020
  
  7870a891
- Merge branch 'reset-molecules' of github.com:lammps/lammps into reset-molecules · d6ebf3cd
  Steve Plimpton authored Jul 07, 2020
  
  d6ebf3cd
- add offset option to reset_mol_ids command · fcc6ed3a
  Steve Plimpton authored Jul 07, 2020
  
  fcc6ed3a
- fix typo · de7f02e4
  Axel Kohlmeyer authored Jul 07, 2020
  
  de7f02e4
- avoid exception when having a command fail due to an empty string · bb9ab025
  Axel Kohlmeyer authored Jul 07, 2020
  
  bb9ab025
- add prototypes for exception handling functions · 0b1443ed
  Axel Kohlmeyer authored Jul 07, 2020
  
  0b1443ed
- add missing symlink · 53d20c9e
  Axel Kohlmeyer authored Jul 06, 2020
  
  53d20c9e
- simplify code string/fmtlib code some more · 960addcc
  Axel Kohlmeyer authored Jul 06, 2020
  
  960addcc
- add (incomplete) tester for reset_mol_ids (with a little use of reset_ids, too) · 2351f99b
  Axel Kohlmeyer authored Jul 06, 2020
  
  2351f99b
- fix communication data conversion bug corrupting bond list · 89f0116e
  Axel Kohlmeyer authored Jul 06, 2020
  
  89f0116e
- refactor tester · d37e943e
  Axel Kohlmeyer authored Jul 06, 2020
  
  d37e943e
- update docs · 836570ec
  Axel Kohlmeyer authored Jul 06, 2020
  
  836570ec
- Merge branch 'master' into reset-molecules · 58cd6a16
  Axel Kohlmeyer authored Jul 06, 2020
  
  58cd6a16
- Merge pull request #2216 from ndtrung81/tersoff-gpu · 6bf32909
  Axel Kohlmeyer authored Jul 06, 2020
  6bf32909
- new reset_mol_ids command · a1011b60
  Steve Plimpton authored Jul 06, 2020
  
  a1011b60
- Merge pull request #2214 from akohlmey/kspace-tests · 9e96b717
  Axel Kohlmeyer authored Jul 06, 2020
  9e96b717
- Merge pull request #2211 from athomps/compute-mliap · 2977a8aa
  Axel Kohlmeyer authored Jul 06, 2020
  2977a8aa
- Merge pull request #2210 from ohenrich/user-cgdna · d1b5b0a1
  Axel Kohlmeyer authored Jul 06, 2020
  d1b5b0a1
- Merge pull request #2205 from akohlmey/collected-small-changes · d768069c
  Axel Kohlmeyer authored Jul 06, 2020
  d768069c
- Merge pull request #2204 from rbberger/doc-changes · 5d0800be
  Axel Kohlmeyer authored Jul 06, 2020
  5d0800be
Jul 06, 2020
- add tests for unknown commands, quit, and reset_timestep · 9ec72d14
  Axel Kohlmeyer authored Jul 06, 2020
  
  9ec72d14
- avoid segfault when calling the log command without arguments · f1abfe24
  Axel Kohlmeyer authored Jul 06, 2020
  
  f1abfe24
- add unit tests for the suffix, thermo, and timestep commands · 461633e6
  Axel Kohlmeyer authored Jul 06, 2020
  
  461633e6
- we may not use "suffix on" before a suffix is defined. switching back to a... · 83d58ba5
  Axel Kohlmeyer authored Jul 06, 2020
  83d58ba5
- change lammps2pdb.pl to only ignore the first line of a data file. whitespace fixes · 1df59c4b
  Axel Kohlmeyer authored Jul 05, 2020
  
  1df59c4b
- simplify compute creation · fe12ea27
  Axel Kohlmeyer authored Jul 05, 2020
  
  fe12ea27
- use fmtlib and utils::logmesg() in fix msst · 134a2e8d
  Axel Kohlmeyer authored Jul 05, 2020
  
  134a2e8d
- Generalized the variable and function names · 75979773
  Aidan Thompson authored Jul 05, 2020
  
  75979773
- use fmtlib consistently when writing data files · a0157f80
  Axel Kohlmeyer authored Jul 05, 2020
  
  a0157f80
- have compute property/atom output shape parameters as diameters not radii... · 443cc444
  Axel Kohlmeyer authored Jul 05, 2020
  443cc444

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