Diffusion lammps 41a6a3076e17

Merge pull request #309 from giacomofiorin/colvars-2016-12-22
41a6a3076e17
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Authored by sjplimp <sjplimp@sandia.gov> on Jan 6 2017, 17:58.

Description

Merge pull request #309 from giacomofiorin/colvars-2016-12-22

Update Colvars library to version 2016-12-22

Details

Committed

GitHub <noreply@github.com>

Jan 6 2017, 17:58

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPSb0263e87bbaa: Fix missing force with extended-Lagrangian mass
rLAMMPSd4e8d4738769: Merge pull request #306 from timattox/USER-DPD_updates

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Event Timeline

GitHub <noreply@github.com> committed rLAMMPS41a6a3076e17: Merge pull request #309 from giacomofiorin/colvars-2016-12-22 (authored by sjplimp <sjplimp@sandia.gov>).Jan 6 2017, 17:58

Merged Changes

Commit	Author	Details	Committed
b0263e87bbaa	Giacomo Fiorin	Fix missing force with extended-Lagrangian mass	Dec 27 2016
925f42727f32	Giacomo Fiorin	Fix typo	Dec 27 2016
f553e230dbcb	Giacomo Fiorin	Update Colvars library to version 2016-12-22	Dec 27 2016
6ab716164b43	Giacomo Fiorin	Fix seg fault for gyration collective variable	Dec 27 2016
7a45c72b9735	Giacomo Fiorin	Allow extended Lagrangian on non-scalar collective variables	Dec 27 2016

Changes (50)

				Path
	M			doc/src/PDF/colvars-refman-lammps.pdf
	M			doc/src/fix_colvars.txt
	P			lib/colvars/Makefile.colvars Copied from lib/colvars/Makefile.g++
	M			lib/colvars/colvar.cpp
	M			lib/colvars/colvar.h
	M			lib/colvars/colvaratoms.cpp
	M			lib/colvars/colvaratoms.h
	M			lib/colvars/colvarbias.cpp
	M			lib/colvars/colvarbias.h
	M			lib/colvars/colvarbias_abf.cpp
	M			lib/colvars/colvarbias_abf.h
	M			lib/colvars/colvarbias_alb.cpp
	M			lib/colvars/colvarbias_alb.h
	M			lib/colvars/colvarbias_histogram.cpp
	M			lib/colvars/colvarbias_histogram.h
	M			lib/colvars/colvarbias_meta.cpp
	M			lib/colvars/colvarbias_meta.h
	M			lib/colvars/colvarbias_restraint.cpp
	M			lib/colvars/colvarbias_restraint.h
	M			lib/colvars/colvarcomp.cpp
	M			lib/colvars/colvarcomp.h
	M			lib/colvars/colvarcomp_angles.cpp
	M			lib/colvars/colvarcomp_coordnums.cpp
	M			lib/colvars/colvarcomp_distances.cpp
	M			lib/colvars/colvarcomp_protein.cpp
	M			lib/colvars/colvarcomp_rotations.cpp
	M			lib/colvars/colvardeps.cpp
	M			lib/colvars/colvardeps.h
	M			lib/colvars/colvargrid.cpp
	M			lib/colvars/colvargrid.h
	M			lib/colvars/colvarmodule.cpp
	M			lib/colvars/colvarmodule.h
	M			lib/colvars/colvarparse.cpp
	M			lib/colvars/colvarparse.h
	M			lib/colvars/colvarproxy.h
	M			lib/colvars/colvarscript.cpp
	M			lib/colvars/colvarscript.h
	M			lib/colvars/colvartypes.cpp
	M			lib/colvars/colvartypes.h
	M			lib/colvars/colvarvalue.cpp
	M			lib/colvars/colvarvalue.h
	M			src/USER-COLVARS/README
	M			src/USER-COLVARS/colvarproxy_lammps.cpp
	M			src/USER-COLVARS/colvarproxy_lammps.h
	M			src/USER-COLVARS/fix_colvars.cpp
	M			src/USER-COLVARS/fix_colvars.h
	M			src/USER-COLVARS/group_ndx.cpp
	M			src/USER-COLVARS/group_ndx.h
	M			src/USER-COLVARS/ndx_group.cpp
	M			src/USER-COLVARS/ndx_group.h