- Jun 15, 2018
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- Jun 14, 2018
-
-
Sebastian Hütter authored
-
Sebastian Hütter authored
-
- Jun 01, 2018
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- May 31, 2018
-
-
Axel Kohlmeyer authored
changes to the energy only consider the kinetic energy, so make that explicit in the augmented `fix dt/reset` docs
-
- May 28, 2018
-
-
Risto Toijala authored
Allow limiting of the maximum energy change of an atom in fix dt/reset in addition to the existing distance limit. Useful especially for high-energy irradiation.
-
- May 18, 2018
-
-
Steven J. Plimpton authored
-
- May 13, 2018
- May 12, 2018
-
-
jrgissing authored
-
- May 11, 2018
-
-
Steven J. Plimpton authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Steven J. Plimpton authored
-
Steven J. Plimpton authored
-
Axel Kohlmeyer authored
-
- May 08, 2018
-
-
Axel Kohlmeyer authored
-
robeme authored
-
- May 07, 2018
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Oliver Henrich authored
-
Oliver Henrich authored
-
Axel Kohlmeyer authored
this introduces an optional keyword, so backward compatibility is preserved. this closes #884
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
provide keyword/value option to compute ackland/atom for selecting legacy or current variant of implementation
-
Axel Kohlmeyer authored
-
- May 06, 2018
-
-
Axel Kohlmeyer authored
-
jrgissing authored
-
- May 05, 2018
-
-
Axel Kohlmeyer authored
changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
-
- May 04, 2018
-
-
Steven J. Plimpton authored
-
- May 03, 2018
-
-
Steven J. Plimpton authored
-
- May 02, 2018
-
-
Giacomo Fiorin authored
Primarily a list of small fixes, combined with cosmetic changes and cleanups in several files. 6d0c917 2018-04-29 Fix missing deallocation of output stream object (reported by HanatoK) [Giacomo Fiorin] c92d369 2018-04-17 Do not test for atom group size [Jérôme Hénin] 431e52a 2018-04-06 Allow scripted/custom colvars to be periodic [Jérôme Hénin] 81d391f 2018-04-05 Split colvarcomp constructor into POD constructor + init() function [Giacomo Fiorin] 9b85d5f 2018-03-13 Fix issue with out-of-order atom selections; clarify format for ref positions [Giacomo Fiorin] 0e0ed37 2018-03-07 Support triclinic unit cells in VMD, clean up PBC functions [Giacomo Fiorin] eed97c9 2018-02-24 Obtain integer version number from version string [Giacomo Fiorin] c17f3cd 2018-02-23 Write trajectory labels only when needed [Giacomo Fiorin]
-
Michael DeLyser authored
-
- May 01, 2018
-
-
Axel Kohlmeyer authored
-
- Apr 26, 2018
-
-
MICHAEL ROBERT DELYSER authored
-
- Apr 21, 2018
-
-
Steven J. Plimpton authored
-