Commits · c97415aefab7cdb6f83a7aa7a57d5386ecc0e6a7 · multiscale / lammps

Apr 17, 2017
- fix typos and remove trailing whitespace · dec36e9b
  Axel Kohlmeyer authored 7 years ago
  
  dec36e9b
- refactor msi2lmp documentation to emphasize lack of active development · dd90c860
  Axel Kohlmeyer authored 7 years ago
  
  - put a note into the manual - reorder contents of the README file - request for information should be sent to lammps-users - add list of known missing features
  dd90c860
Mar 21, 2017

changes for next patch, 2d disc options for spheres, fix external upgrade, bug... · dcede304

Steve Plimpton authored 8 years ago

changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution

dcede304

Mar 20, 2017
- mention NumPy dependency instead of Numeric for python tools · 82d952ae
  Axel Kohlmeyer authored 8 years ago
  
  82d952ae
- fix compilation for pymol_asphere tool · 47d6451d
  Axel Kohlmeyer authored 8 years ago
  
  47d6451d
- remove obsolete tools and files · e110d696
  Axel Kohlmeyer authored 8 years ago
  
  e110d696
- update colvars abf integrate tool from git repo · a42b0b7d
  Axel Kohlmeyer authored 8 years ago
  
  a42b0b7d
- adapt binary2txt.cpp source to current coding conventions · 03828b58
  Axel Kohlmeyer authored 8 years ago
  
  03828b58
- more permission fixes · ecf17621
  Axel Kohlmeyer authored 8 years ago
  
  ecf17621
- remove xmovie · f0c6ed00
  Axel Kohlmeyer authored 8 years ago
  
  f0c6ed00
Mar 07, 2017
- Fix more typos in tools · 08baaa9d
  Richard Berger authored 8 years ago
  
  08baaa9d
Mar 06, 2017
- Fix typos in tools folder · dd76ac50
  Richard Berger authored 8 years ago
  
  dd76ac50
Mar 05, 2017
- Spelling fixes in source files · e261bef7
  Richard Berger authored 8 years ago
  
  e261bef7
Feb 04, 2017
- Updated polarizer.py to use coul/long/cs · 27aca140
  Agilio Padua authored 8 years ago
  
  27aca140
Jan 11, 2017
- make formatting comment consistent · 34cb4027
  Axel Kohlmeyer authored 8 years ago
  
  34cb4027
Nov 30, 2016
- fix typo · 7ddb6670
  Axel Kohlmeyer authored 8 years ago
  
  7ddb6670
Nov 21, 2016
- update bundled version of moltemplate to v1.40 · 9e9d9d5a
  Axel Kohlmeyer authored 8 years ago
  
  9e9d9d5a
Oct 28, 2016
- permission cleanup in tools folder · 93d393aa
  Axel Kohlmeyer authored 8 years ago
  
  93d393aa
Oct 06, 2016
- update reference data files for updated/corrected clayff parameters · 0853cdbe
  Axel Kohlmeyer authored 8 years ago
  
  0853cdbe
- improved whitespace handling in msi2lmp for force fields and topologies · 22ce6718
  Axel Kohlmeyer authored 8 years ago
  
  22ce6718
Oct 05, 2016
- some more updates to the README file to reflect the inclusion of the CMAP... · d7d321a5
  Axel Kohlmeyer authored 8 years ago
  
  some more updates to the README file to reflect the inclusion of the CMAP example and renamed file names
  d7d321a5
- added 1GB1 example from Robert Latour and update 1AC7 example files · 326fdf2c
  Axel Kohlmeyer authored 8 years ago
  
  326fdf2c
- added tweak to write out the command line used for the conversion to the... · f32819dd
  Axel Kohlmeyer authored 8 years ago
  
  added tweak to write out the command line used for the conversion to the beginning of the LAMMPS input
  f32819dd
- import updated README file for charmm2lammps.pl with CMAP support · c07a01c6
  Axel Kohlmeyer authored 8 years ago
  
  c07a01c6
Oct 03, 2016
- remove trailing whitespace · 6e719f2d
  Axel Kohlmeyer authored 8 years ago
  
  6e719f2d
- permission update for ch2lmp tool folder · 45d2cc28
  Axel Kohlmeyer authored 8 years ago
  
  45d2cc28
- rebuild charmm2lammps example output files with updated tools · 690f9130
  Axel Kohlmeyer authored 8 years ago
  
  690f9130
- properly handle -nohints flag, make -cmap flag take version as option. step version number · 3b94627d
  Axel Kohlmeyer authored 8 years ago
  
  3b94627d
- import updated charmm2lammps.pl script from Rober Latour · c2e11dff
  Axel Kohlmeyer authored 8 years ago
  
  c2e11dff
Sep 26, 2016
- new fix cmap command · b97b9dd6
  Steve Plimpton authored 8 years ago
  
  b97b9dd6
Sep 23, 2016

· 8a6e5ed3

sjplimp authored 8 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15637 f3b2605a-c512-4ea7-a41b-209d697bcdaa

8a6e5ed3

Jun 14, 2016

· 863a3d33

sjplimp authored 8 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15163 f3b2605a-c512-4ea7-a41b-209d697bcdaa

863a3d33

May 31, 2016

· d7c50255

sjplimp authored 8 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7-a41b-209d697bcdaa

d7c50255

Jan 15, 2016

· bfa98820

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14448 f3b2605a-c512-4ea7-a41b-209d697bcdaa

bfa98820

Dec 15, 2015

· 074d5962

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7-a41b-209d697bcdaa

074d5962

· 5f802f86

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7-a41b-209d697bcdaa

5f802f86

Nov 19, 2015

· b857237f

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7-a41b-209d697bcdaa

b857237f

Oct 30, 2015

· 0aa77408

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa

0aa77408

· 01e0beda

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7-a41b-209d697bcdaa

01e0beda

Sep 24, 2015

· 2ed7d366

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2ed7d366