Commits · 183d92cad777efd998981b0b1f3c36752fa9c256 · 郑智淋 / lammps · GitLab

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Jul 25, 2019
- update comm_modify documentation · 183d92ca
  Axel Kohlmeyer authored Jul 25, 2019
  
  183d92ca
- adjust logic for choosing the communication cutoff to requests from @sjplimp · 4586fd50
  Axel Kohlmeyer authored Jul 25, 2019
  4586fd50
- print warning, when explicitly specified communication cutoff is increased · d08477cc
  Axel Kohlmeyer authored Jul 24, 2019
  
  d08477cc
- refactor communication cutoff estimator. move it to Comm class. and adjust heuristics. · c098582d
  Axel Kohlmeyer authored Jul 24, 2019
  
  c098582d
- add half a bond length safety margin to bond length based cutoff estimates · 1d310ad7
  Axel Kohlmeyer authored Jul 24, 2019
  
  1d310ad7
- add documentation for warning added to comm styles · 20843f74
  Axel Kohlmeyer authored Jul 24, 2019
  
  20843f74
- add warning to Comm class against zero communication cutoff · be1522d1
  Axel Kohlmeyer authored Jul 24, 2019
  
  be1522d1
- include the bond length in communication cutoff considerations · 985c959a
  Axel Kohlmeyer authored Jul 24, 2019
  
  985c959a
Jul 20, 2019
- Merge pull request #1574 from akohlmey/next_version · f4df5176
  Axel Kohlmeyer authored Jul 20, 2019
  View commits for tag patch_19Jul2019 patch_19Jul2019
  
  f4df5176
- Merge pull request #1571 from stanmoore1/kk_snap_opt · d52540ea
  Axel Kohlmeyer authored Jul 19, 2019
  d52540ea
- Merge pull request #1567 from akohlmey/collected-small-fixes · 981b9a1f
  Axel Kohlmeyer authored Jul 19, 2019
  981b9a1f
- Merge pull request #1575 from akohlmey/better-error-checking-on-parsing · 895d4fa9
  Axel Kohlmeyer authored Jul 19, 2019
  895d4fa9
- Fix memory issue · 502fbfb7
  Stan Moore authored Jul 19, 2019
  
  502fbfb7
- update fix tmd input similar to read_data · 276e3b2d
  Axel Kohlmeyer authored Jul 19, 2019
  
  276e3b2d
- Merge pull request #1573 from ohenrich/user-cgdna · 67b74aea
  Axel Kohlmeyer authored Jul 19, 2019
  67b74aea
- more sscanf() return value checking · e72aef2a
  Axel Kohlmeyer authored Jul 19, 2019
  
  e72aef2a
Jul 19, 2019
- Workaround for GCC internal compiler error · c7bccc5e
  Stan Moore authored Jul 19, 2019
  
  c7bccc5e
- fix typo · d730ef5b
  Axel Kohlmeyer authored Jul 19, 2019
  
  d730ef5b
- Merge pull request #60 from evoyiatzis/patch-1 · 44c9d3c1
  Axel Kohlmeyer authored Jul 19, 2019
  44c9d3c1
- improve parsing of data file header · 1de00aaa
  Axel Kohlmeyer authored Jul 19, 2019
  1de00aaa
- checking return value of ?scanf() calls to detect problems parsing files · 8526e7a4
  Axel Kohlmeyer authored Jul 19, 2019
  
  8526e7a4
- Update compute.txt · 4f7c95d8
  Evangelos Voyiatzis authored Jul 19, 2019
  4f7c95d8
- add metachars '\i' and '\f' to regexp for interger and floating point number chars · 4c328bf8
  Axel Kohlmeyer authored Jul 19, 2019
  
  4c328bf8
- step version string for next patch release · babbdaff
  Axel Kohlmeyer authored Jul 19, 2019
  
  babbdaff
- Clarified explanation of new example3 · c2643a51
  Oliver Henrich authored Jul 19, 2019
  
  c2643a51
- Removed references to pair_oxdna2_stk · 0ee0ea10
  Oliver Henrich authored Jul 19, 2019
  
  0ee0ea10
- Added comment on new duplex3 · 57fd9723
  Oliver Henrich authored Jul 19, 2019
  
  57fd9723
- Updated extended documentation · e2a7cdc4
  Oliver Henrich authored Jul 19, 2019
  
  e2a7cdc4
- Merge pull request #1570 from julient31/spin-update · 92b53c7b
  Axel Kohlmeyer authored Jul 19, 2019
  92b53c7b
- Updated input and log files, amended comment in data files · 7bf97577
  Oliver Henrich authored Jul 19, 2019
  
  7bf97577
- Corrected virial, altered calculation of stacking strength · 3acb09e3
  Oliver Henrich authored Jul 19, 2019
  
  3acb09e3
- Add optimized version of Kokkos SNAP · e5fffa59
  Stan Moore authored Jul 18, 2019
  
  e5fffa59
Jul 18, 2019
- Commit2 JT 071719 · 22b73a31
  julient31 authored Jul 17, 2019
  22b73a31
- Commit JT 071719 · 60ebc08d
  julient31 authored Jul 17, 2019
  60ebc08d
- fix issue #1568 · 856efa28
  Axel Kohlmeyer authored Jul 17, 2019
  
  856efa28
- include rmass[] in border communication. will otherwise trigger issues with fix shake. · 02b0fb45
  Axel Kohlmeyer authored Jul 17, 2019
  
  02b0fb45
- let CMake configuration default to Release with debug settings · bcf600d7
  Axel Kohlmeyer authored Jul 17, 2019
  bcf600d7
- refactor FFT handling in CMake module for KSPACE. · 06275b03
  Axel Kohlmeyer authored Jul 17, 2019
  06275b03
Jul 16, 2019
- Merge pull request #1563 from stanmoore1/kk_setforce · 0a90032b
  Axel Kohlmeyer authored Jul 15, 2019
  0a90032b
Jul 13, 2019
- Merge pull request #1561 from akohlmey/fix-user-intel-nve-bug · 6742f371
  Axel Kohlmeyer authored Jul 12, 2019
  6742f371

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