- Jun 30, 2017
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Steve Plimpton authored
-
sjplimp authored
Update to USER-MANIFOLD gaussian bump
-
sjplimp authored
Fix Memory Leak in Kokkos NeighList
-
sjplimp authored
Collected small bugfixes and updates
-
sjplimp authored
Add folder .github containing administrative files for use with GitHub
-
Axel Kohlmeyer authored
-
- Jun 28, 2017
-
-
Stefan Paquay authored
-
Axel Kohlmeyer authored
rather than placing an if statement around every incidence of calling atom->check_mass() to ensure it is only called when per atom masses are not set, we place that check _inside_ Atom::check_mass(). This avoids unexpected error messages.
-
- Jun 27, 2017
-
-
Stefan Paquay authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
This is still a draft and in need of editing, proofreading and testing for formatting.
-
- Jun 26, 2017
-
-
Stan Moore authored
-
Stan Moore authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- Jun 24, 2017
-
-
-
Steve Plimpton authored
-
- Jun 23, 2017
-
-
sjplimp authored
doc page clarifications for CHARMM energy and dipole pre-factors
-
Steve Plimpton authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
sjplimp authored
use CHARMM energy conversion factor with new CHARMM pair styles
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
reword the kspace_modify fftbench keyword docs to reflect the current state (i.e. off by default) of code
-
Axel Kohlmeyer authored
-
- Jun 22, 2017
-
-
Axel Kohlmeyer authored
-
-
Steve Plimpton authored
-
sjplimp authored
fix issue with rRESPA inner/middle neighbor lists
-
sjplimp authored
Collected small changes and bugfixes
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-