lammps/lib
masterc31f1e9f22524ce03de2a8e…

Jan 9 2017

add fix mscg command, example, lib
c31f1e9f2252
·Steve Plimpton on Jan 9 2017, 21:36.

Fix missing force with extended-Lagrangian mass
b0263e87bbaa
·Giacomo Fiorin on Dec 27 2016, 23:16.
Update Colvars library to version 2016-12-22
f553e230dbcb
·Giacomo Fiorin on Dec 27 2016, 19:17.
Fix seg fault for gyration collective variable
6ab716164b43
·Giacomo Fiorin on Dec 27 2016, 19:17.
Allow extended Lagrangian on non-scalar collective variables
7a45c72b9735
·Giacomo Fiorin on Dec 27 2016, 18:35.

Make SMP parallelism for Colvars optional
182141b85005
·Giacomo Fiorin on Oct 24 2016, 23:13.
Add ensemble-biased metadynamics (Fabrizio Marinelli, NIH)
e02505c8cc33
·Giacomo Fiorin on Oct 24 2016, 23:11.
Minor changes and fixes not relevant to LAMMPS
be2d155cef25
·Giacomo Fiorin on Oct 24 2016, 23:10.
Fix wall forces and subtractAppliedForce for extended-Lagrangian ABF
c2430939809e
·Giacomo Fiorin on Oct 24 2016, 23:05.
Add C-linkage wrapper for colvarscript (useful with ctypes)
ad57a17f48c8
·Giacomo Fiorin on Oct 24 2016, 22:48.

fix typos in Makefile.lammps for NetCDF support
019bc0ba0be2
·Axel Kohlmeyer on Oct 19 2016, 13:39.

import lammps-netcdf code as USER-NC-DUMP package
ecb03dd2dfda
·Axel Kohlmeyer on Oct 12 2016, 05:03.

update colvars library to version 2016-09-30
6d200061ca64
·Axel Kohlmeyer on Sep 30 2016, 14:15.

Merge branch 'integration' into new-master
5b2becd09b97
·Axel Kohlmeyer on Sep 29 2016, 16:37.

sync with GH
484122b8b610
·sjplimp on Sep 16 2016, 21:21.
colvars bugfix. updates colvars library to version 2016-09-14
9637a5b5306f
·Axel Kohlmeyer on Sep 16 2016, 01:44.

ignore Makefile.lammps in lib tree
14bed44743d6
·Axel Kohlmeyer on Sep 13 2016, 15:36.
ignore *.mod generated by fortran compilers
18cacb8e1dab
·Axel Kohlmeyer on Sep 13 2016, 15:36.

sync with GH
b190abea390e
·sjplimp on Sep 8 2016, 22:20.
Merge pull request #22 from akohlmey/colvars-update
07e55ef61e7d
·sjplimp / GitHub on Sep 8 2016, 22:14.
Kokkos lib update
236ebf7fabbb
·Steve Plimpton on Sep 8 2016, 21:56.

update colvars library to version 2016-09-03
3a74ccffa2ed
·Axel Kohlmeyer on Sep 7 2016, 03:28.
adjust makefiles in lib tree, so they don't return an error exit code on "make…
c8cfd53c1b86
·Axel Kohlmeyer on Sep 7 2016, 03:28.
update colvars library to version 2016-08-19
16607a0132d5
·Axel Kohlmeyer on Sep 7 2016, 03:27.
update colvars to version 2016-08-10
3b476d914f5e
·Axel Kohlmeyer on Sep 7 2016, 03:27.
update colvars to another set of changes from the upstream repo
977b9e542f5d
·Axel Kohlmeyer on Sep 7 2016, 03:27.
update colvars makefile dependencies
1b33d00785b9
·Axel Kohlmeyer on Sep 7 2016, 03:27.
suppress compiler warning
3d2e5d0a5031
·Axel Kohlmeyer on Sep 7 2016, 03:27.
update colvars to version 2016-08-10
ec2a6b9f0de3
·Axel Kohlmeyer on Sep 7 2016, 03:27.
update colvars library to version 2016-08-05
77620106a43e
·Axel Kohlmeyer on Sep 7 2016, 03:26.
Updating Kokkos lib
39be4185c40b
·stamoor on Sep 7 2016, 01:06.
Updating Kokkos lib
1ad033ec0c71
·stamoor on Sep 7 2016, 01:02.

small bug fixes
083ff54c0c51
·sjplimp on Aug 31 2016, 22:26.
Merge branch 'small' into integration
4051aedf2c78
·Steve Plimpton on Aug 31 2016, 21:58.
sync with SVN
ec8b9e21dbb4
·Steve Plimpton on Aug 31 2016, 21:28.

Removing aggressive_vectorization flag due to safety issue
dbaaf4dbbdb6
·stamoor on Aug 30 2016, 19:52.
avoid NaNs in MEAM
493613b49549
·Axel Kohlmeyer on Aug 30 2016, 12:54.

removal of doc/html/_sources and minor sync with SVN
2beecd1e7351
·Steve Plimpton on Aug 26 2016, 19:34.
Changing default
cc4b2dd6ede6
·stamoor on Aug 26 2016, 17:50.