Commits · 21c59d4cf0762bceefaab1e96284ce8a244a6ec6 · multiscale / lammps

Sep 06, 2018
- more replacing of sprintf() with snprintf() · 9c27548a
  Axel Kohlmeyer authored 6 years ago
  
  9c27548a
Aug 28, 2018
- formatting: add additional space to avoid bad syntax highlights · 71bc72ec
  Richard Berger authored 6 years ago
  
  71bc72ec
Aug 24, 2018
- Fix unused params in packages (#1076) · 92a4dc25
  Daniel Schwen authored 6 years ago
  
  92a4dc25
Apr 27, 2018
- replace C-style include files with their C++ equivalents · e4071d7f
  Axel Kohlmeyer authored 6 years ago
  
  e4071d7f
Mar 16, 2018
- replace leading tabs · ee862d8b
  Axel Kohlmeyer authored 7 years ago
  
  ee862d8b
May 09, 2017

whitespace cleanup · 390ceb14
Axel Kohlmeyer authored 7 years ago

390ceb14

performance improvement through avoiding function call and dereference overhead · 6c5edf6c

Axel Kohlmeyer authored 7 years ago

- make i_to_potl() and ij_to_potl() functions inline and const
- don't dereference inside the functions, but cache, if possible in external variables
=> up to 15% speedup.

6c5edf6c

fix issues with potential file parser · 9cd994f5

Axel Kohlmeyer authored 7 years ago

- use Force::open_potential()
- replace ftell()/fseek() with rewind()/fgets() which is safer on windows and other platforms with automatic CR/LF to LF conversion on text files
- make parser use properly NULL terminated strings through using strtok()

9cd994f5

May 04, 2017
- Cleanup of style (removing all tabs, shortened long lines). · 42531389
  DallasTrinkle authored 7 years ago
  
  42531389
- OpenMP version added. · f7230006
  DallasTrinkle authored 7 years ago
  
  f7230006
- Removed unused functions. · 754b40cb
  DallasTrinkle authored 7 years ago
  
  754b40cb
- Cleanup. · ffdc8b55
  DallasTrinkle authored 7 years ago
  
  ffdc8b55
- Cleanup. · 5accce97
  DallasTrinkle authored 7 years ago
  
  5accce97
- Cleanup. · 349c1443
  DallasTrinkle authored 7 years ago
  
  349c1443
- Removed extra "helper" functions. · 2f71245d
  DallasTrinkle authored 7 years ago
  
  2f71245d
- Starting to refactor in preparation to contruct OMP version. · 48072781
  DallasTrinkle authored 7 years ago
  
  48072781
- Fix system header #include style. · 45187a0f
  DallasTrinkle authored 7 years ago
  
  45187a0f
May 03, 2017
- Cleaned up atom->x and atom->f deferences. · 7409c6d7
  DallasTrinkle authored 7 years ago
  
  7409c6d7
- Cleanup: two space indent + no trailing spaces on lines. · 11cb0212
  DallasTrinkle authored 7 years ago
  
  11cb0212
May 02, 2017
- Fix to communication for mpi. Tested, and now working correctly with MPI. · 50c7234f
  DallasTrinkle authored 7 years ago
  
  50c7234f
- Fixed neighbor list building that caused error in parallel runs with pair_meam_spline. · f58fc948
  DallasTrinkle authored 7 years ago
  
  f58fc948
- Fix for seg fault. · 408cc198
  DallasTrinkle authored 7 years ago
  
  408cc198
- Another fix for seg fault in parallel allocation. · c76d2737
  DallasTrinkle authored 7 years ago
  
  c76d2737
May 01, 2017
- Small error in elements allocation causing seg. fault for parallel runs; fixed. · fb08dc09
  DallasTrinkle authored 7 years ago
  
  fb08dc09
Apr 28, 2017
- Cleanup on pair_meam_spline.cpp · 8cc84413
  DallasTrinkle authored 7 years ago
  
  8cc84413
- Addition of potential, code modifications to incorporate multicomponent spline... · 7d9670bc
  DallasTrinkle authored 7 years ago
  
  Addition of potential, code modifications to incorporate multicomponent spline MEAM in pair_meam_spline. Backwards compatible with previous version of pair_meam_spline.
  7d9670bc
Feb 21, 2017
- new SNAP potential for W · 1cd4c48c
  Steve Plimpton authored 8 years ago
  
  1cd4c48c
Feb 15, 2017
- more neighbor list changes, some new options · 4a80df3a
  Steve Plimpton authored 8 years ago
  
  4a80df3a
Oct 30, 2015

· 354e20f4

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

354e20f4

Jan 19, 2015

· 4a975dd8

sjplimp authored 10 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa

4a975dd8

Aug 06, 2014

· 2cca3735

sjplimp authored 10 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2cca3735

Apr 04, 2014

· 0de9e425

sjplimp authored 10 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa

0de9e425

Jun 28, 2013

· 737e5e6c

sjplimp authored 11 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7-a41b-209d697bcdaa

737e5e6c

Jun 27, 2013

· b92fa003

sjplimp authored 11 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7-a41b-209d697bcdaa

b92fa003

Oct 29, 2012

· 4039a398

sjplimp authored 12 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9034 f3b2605a-c512-4ea7-a41b-209d697bcdaa

4039a398

Jun 06, 2012

· ef9e7005

sjplimp authored 12 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

ef9e7005

Feb 03, 2012

· c9446b61

sjplimp authored 13 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7683 f3b2605a-c512-4ea7-a41b-209d697bcdaa

c9446b61

Feb 01, 2012

· 17d1e960

sjplimp authored 13 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7656 f3b2605a-c512-4ea7-a41b-209d697bcdaa

17d1e960