Commits · 73c6171ad66213c5f12ced4647bacf5630e20966 · 郑智淋 / lammps · GitLab

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Jun 05, 2020
- get rid of BIGINT_FORMAT and use utils::logmesg() · 73c6171a
  Axel Kohlmeyer authored Jun 05, 2020
  
  73c6171a
- simplify writing restarts a bit more · 8ed32f95
  Axel Kohlmeyer authored Jun 05, 2020
  
  8ed32f95
- use const char * for compatibility with std::string.c_str() · 8814fc01
  Axel Kohlmeyer authored Jun 05, 2020
  
  8814fc01
- fixup whitespace · 3e289bbc
  Axel Kohlmeyer authored Jun 04, 2020
  
  3e289bbc
- get rid of more BIGINT_FORMAT macros · 923e7408
  Axel Kohlmeyer authored Jun 04, 2020
  
  923e7408
- use {fmt} to write out atomic data · c02c352c
  Axel Kohlmeyer authored Jun 04, 2020
  
  c02c352c
- get rid of BIGINT_FORMAT and use std::string.replace() to expand time step in... · 439eee3b
  Axel Kohlmeyer authored Jun 04, 2020
  439eee3b
- convert code in Info to use {fmt} and string · ad15385f
  Axel Kohlmeyer authored Jun 04, 2020
  
  ad15385f
- no local buffers and snprintf() in a bunch of style creation functions · b27ef02b
  Axel Kohlmeyer authored Jun 04, 2020
  
  b27ef02b
Jun 04, 2020
- avoid using a local buffer and snprintf() · 481d3cb2
  Axel Kohlmeyer authored Jun 04, 2020
  
  481d3cb2
- get rid of snprintf() and local buffers in atom style creation · 97e69abc
  Axel Kohlmeyer authored Jun 04, 2020
  
  97e69abc
- simplify Domain::print_box() · 00fd8201
  Axel Kohlmeyer authored Jun 03, 2020
  
  00fd8201
- simplify create/delete_atoms/bonds · fc216edf
  Axel Kohlmeyer authored Jun 03, 2020
  
  fc216edf
- simplify deprecated styles · ef190962
  Axel Kohlmeyer authored Jun 03, 2020
  
  ef190962
- update load balancing output to use utils::logmesg() and {fmt} · c0fb7948
  Axel Kohlmeyer authored Jun 03, 2020
  
  c0fb7948
- Merge pull request #2124 from sachu92/fix_controller_process_variable_fix · 9e8ce240
  Axel Kohlmeyer authored Jun 03, 2020
  9e8ce240
Jun 03, 2020
- Parsing of process variable in fix controller corrected · aacb9648
  Sachin Krishnan TV authored Jun 03, 2020
  
  aacb9648
Jun 02, 2020
- Merge pull request #2120 from lammps/next_lammps_version · 981cfd42
  Axel Kohlmeyer authored Jun 01, 2020
  View commits for tag patch_2Jun2020 patch_2Jun2020
  
  981cfd42
- Merge pull request #2106 from jrgissing/bond/react-molecule-fragment-support · 5193ee70
  Axel Kohlmeyer authored Jun 01, 2020
  5193ee70
Jun 01, 2020
- Merge pull request #2119 from akohlmey/more-test-files · 1ca236da
  Axel Kohlmeyer authored Jun 01, 2020
  1ca236da
- Merge branch 'master' into bond/react-molecule-fragment-support · b8182613
  Axel Kohlmeyer authored May 31, 2020
  
  b8182613
- rephrase to use more common term · 09ce0d11
  Axel Kohlmeyer authored May 31, 2020
  
  09ce0d11
- Merge pull request #2103 from lammps/add-fmt-lib · e449cdf9
  Axel Kohlmeyer authored May 31, 2020
  e449cdf9
May 31, 2020
- step version strings for next patch release · acf28081
  Axel Kohlmeyer authored May 31, 2020
  
  acf28081
- remove unneeded justification marker · 7ab55a86
  Axel Kohlmeyer authored May 31, 2020
  
  7ab55a86
- add a bunch of tests for utils::strmatch() · 88cedc27
  Axel Kohlmeyer authored May 31, 2020
  
  88cedc27
- expand tests for valid and invalid numbers · 4a21ad7b
  Axel Kohlmeyer authored May 31, 2020
  
  4a21ad7b
- sync with header · f5be01e4
  Axel Kohlmeyer authored May 31, 2020
  
  f5be01e4
- add extra parenthesis to indicate that assignment is intentional in logical expression · 89bffb2e
  Axel Kohlmeyer authored May 31, 2020
  
  89bffb2e
- silence compiler warnings: const has no effect on return type · 4f169e99
  Axel Kohlmeyer authored May 31, 2020
  
  4f169e99
- Merge branch 'master' into add-fmt-lib · ee907966
  Axel Kohlmeyer authored May 31, 2020
  ee907966
- add tests for a bunch of coulomb only pair styles · 7ebad527
  Axel Kohlmeyer authored May 31, 2020
  
  7ebad527
- correct forces in single function and simplify a little · 633b66d4
  Axel Kohlmeyer authored May 31, 2020
  
  633b66d4
- cannot compare Pair::compute() vs. Pair::single for styles with coul/dsf or... · 661b0ee8
  Axel Kohlmeyer authored May 31, 2020
  661b0ee8
- add tests for a whole bunch of CHARMM pair styles · 64b684ee
  Axel Kohlmeyer authored May 31, 2020
  
  64b684ee
- correct force calculation in lj/charmm/coul/msm/omp · 1493ae5c
  Axel Kohlmeyer authored May 31, 2020
  
  1493ae5c
- fix bug in r-RESPA neighborlist setup for lj/charmmfsw/coul/long · a820b7d3
  Axel Kohlmeyer authored May 31, 2020
  
  a820b7d3
- fix factor 0.5 bug in lj/charmm/coul/charmm/implicit/omp · f7a0f667
  Axel Kohlmeyer authored May 31, 2020
  
  f7a0f667
- add endpoint gradients for two bond tables · eb60b049
  Axel Kohlmeyer authored May 30, 2020
  
  eb60b049
- output endpoint gradient for some angle tabulations · 91272e76
  Axel Kohlmeyer authored May 30, 2020
  
  91272e76

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