Diffusion lammps 0229556b031d

Merge branch 'master' of github.com:lammps/lammps
0229556b031d
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Authored by Michele Ceriotti <michele.ceriotti@gmail.com> on Jul 3 2015, 15:43.

Description

Merge branch 'master' of github.com:lammps/lammps

Details

Committed

Michele Ceriotti <michele.ceriotti@gmail.com>

Jul 3 2015, 15:43

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS357d4517e85f: Merge branch 'master' of github.com:lammps/lammps
rLAMMPS8db4d807260a: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13513 f3b2605a-c512-4ea7…

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Michele Ceriotti <michele.ceriotti@gmail.com> committed rLAMMPS0229556b031d: Merge branch 'master' of github.com:lammps/lammps (authored by Michele Ceriotti <michele.ceriotti@gmail.com>).Jul 3 2015, 15:43

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.

Commit	Author	Details	Committed
8db4d807260a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13513 f3b2605a-c512-4ea7…	Jul 3 2015
ccfea31ae52b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13512 f3b2605a-c512-4ea7…	Jul 3 2015
79e142b2ca43	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7…	Jul 2 2015
050244f229df	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7…	Jul 2 2015
38af3b0ffb75	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13508 f3b2605a-c512-4ea7…	Jul 2 2015
5db1b37955a6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13507 f3b2605a-c512-4ea7…	Jul 2 2015
ade2dca6af71	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13506 f3b2605a-c512-4ea7…	Jul 2 2015
7579964db779	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13505 f3b2605a-c512-4ea7…	Jul 2 2015
b3242e1962d9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13504 f3b2605a-c512-4ea7…	Jul 2 2015
7abe03a595fb	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13503 f3b2605a-c512-4ea7…	Jul 2 2015
90d0dd27d288	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13502 f3b2605a-c512-4ea7…	Jul 2 2015
65f55e702397	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13501 f3b2605a-c512-4ea7…	Jul 2 2015
a67cb068562f	stamoor	Fixing small Kokkos bug	Jul 1 2015
2b605e29db7b	athomps	Describes new QUIP directory structure	Jul 1 2015
fe0bf706ece1	stamoor	Small bug fix for Kokkos charmm pair styles	Jul 1 2015
afd2f6bde817	stamoor	Fixing small bug in run-style verlet split	Jul 1 2015
721b312498d6	stamoor	Fixing small bug in Kokkos pair styles with long-range Coulombics	Jul 1 2015
48445741ddda	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13494 f3b2605a-c512-4ea7…	Jun 26 2015
12b5742f6c7c	athomps	Updated to new QUIP directory structure	Jun 24 2015
e223ffe74bef	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13490 f3b2605a-c512-4ea7…	Jun 12 2015
5a723510dc6d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13489 f3b2605a-c512-4ea7…	Jun 9 2015
9a72a59b694c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13488 f3b2605a-c512-4ea7…	Jun 9 2015
547f57090441	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13486 f3b2605a-c512-4ea7…	Jun 4 2015
43d738e168b2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7…	May 21 2015
9d8ec277cb3f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13483 f3b2605a-c512-4ea7…	May 19 2015
f110488db006	athomps	Added inside_nonperiodic()	May 18 2015
d9be5d7d63d3	athomps	Switched some inside() checks to inside_nonperiodic() checks	May 18 2015
b2b721f5fbff	athomps	Updated full_energy description	May 18 2015
bff094784db4	athomps	Added error message to list	May 18 2015
26c09979f3b0	athomps	Added inside box check for fix_gcmc moves	May 16 2015
aef75ace77e7	athomps	Added inside box check for fix_gcmc moves	May 16 2015
410549ec46b3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13475 f3b2605a-c512-4ea7…	May 15 2015
fcbf8275eb91	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13473 f3b2605a-c512-4ea7…	May 15 2015
7c5320e342d7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13472 f3b2605a-c512-4ea7…	May 15 2015
07f62aea1a51	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13471 f3b2605a-c512-4ea7…	May 15 2015
723da5079ab7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7…	May 15 2015
8177dd7612fa	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13469 f3b2605a-c512-4ea7…	May 15 2015
b206e23b33bd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13468 f3b2605a-c512-4ea7…	May 15 2015
6106843d57af	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7…	May 15 2015
1bdd915a90bf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13466 f3b2605a-c512-4ea7…	May 15 2015
a32bfebe880a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13465 f3b2605a-c512-4ea7…	May 15 2015
c3fd41010d41	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7…	May 15 2015
2284dcc4527a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13463 f3b2605a-c512-4ea7…	May 15 2015
29746678ff3e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13461 f3b2605a-c512-4ea7…	May 15 2015
09581bb143a6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7…	May 14 2015
d2f90c7e0c6d	athomps	Added intra_energy keyword	May 12 2015
1f21a5dcc45a	athomps	Added intra_energy keyword	May 12 2015
720490cfa461	athomps	Added group keywords to fix gcmc, fixed destructor	May 12 2015
0c0441b870a0	athomps	Added group keywords to fix gcmc	May 8 2015
4dff6763963f	athomps	Added group keywords to fix gcmc	May 8 2015

Changes (477)
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Very Large Commit

This commit is very large. Load each file individually.

				Path
	V			bench/{log.15May15.chain.fixed.icc.1 ← log.1Feb14.chain.fixed.linux.1}
	V			bench/{log.15May15.chain.fixed.icc.4 ← log.1Feb14.chain.fixed.linux.4}
	V			bench/{log.15May15.chain.scaled.icc.4 ← log.1Feb14.chain.scaled.linux.4}
	V			bench/{log.15May15.chute.fixed.icc.1 ← log.1Feb14.chute.fixed.linux.1}
	V			bench/{log.15May15.chute.fixed.icc.4 ← log.1Feb14.chute.fixed.linux.4}
	V			bench/{log.15May15.chute.scaled.icc.4 ← log.1Feb14.chute.scaled.linux.4}
	V			bench/{log.15May15.eam.fixed.icc.1 ← log.1Feb14.eam.fixed.linux.1}
	V			bench/{log.15May15.eam.fixed.icc.4 ← log.1Feb14.eam.fixed.linux.4}
	V			bench/{log.15May15.eam.scaled.icc.4 ← log.1Feb14.eam.scaled.linux.4}
	V			bench/{log.15May15.lj.fixed.icc.1 ← log.1Feb14.lj.fixed.linux.1}
	V			bench/{log.15May15.lj.fixed.icc.4 ← log.1Feb14.lj.fixed.linux.4}
	V			bench/{log.15May15.lj.scaled.icc.4 ← log.1Feb14.lj.scaled.linux.4}
	V			bench/{log.15May15.rhodo.fixed.icc.1 ← log.1Feb14.rhodo.fixed.linux.1}
	V			bench/{log.15May15.rhodo.fixed.icc.4 ← log.1Feb14.rhodo.fixed.linux.4}
	V			bench/{log.15May15.rhodo.scaled.icc.4 ← log.1Feb14.rhodo.scaled.linux.4}
	V			bench/{log.1Feb14.chain.fixed.linux.1 → log.15May15.chain.fixed.icc.1}
	V			bench/{log.1Feb14.chain.fixed.linux.4 → log.15May15.chain.fixed.icc.4}
	V			bench/{log.1Feb14.chain.scaled.linux.4 → log.15May15.chain.scaled.icc.4}
	V			bench/{log.1Feb14.chute.fixed.linux.1 → log.15May15.chute.fixed.icc.1}
	V			bench/{log.1Feb14.chute.fixed.linux.4 → log.15May15.chute.fixed.icc.4}
	V			bench/{log.1Feb14.chute.scaled.linux.4 → log.15May15.chute.scaled.icc.4}
	V			bench/{log.1Feb14.eam.fixed.linux.1 → log.15May15.eam.fixed.icc.1}
	V			bench/{log.1Feb14.eam.fixed.linux.4 → log.15May15.eam.fixed.icc.4}
	V			bench/{log.1Feb14.eam.scaled.linux.4 → log.15May15.eam.scaled.icc.4}
	V			bench/{log.1Feb14.lj.fixed.linux.1 → log.15May15.lj.fixed.icc.1}
	V			bench/{log.1Feb14.lj.fixed.linux.4 → log.15May15.lj.fixed.icc.4}
	V			bench/{log.1Feb14.lj.scaled.linux.4 → log.15May15.lj.scaled.icc.4}
	V			bench/{log.1Feb14.rhodo.fixed.linux.1 → log.15May15.rhodo.fixed.icc.1}
	V			bench/{log.1Feb14.rhodo.fixed.linux.4 → log.15May15.rhodo.fixed.icc.4}
	V			bench/{log.1Feb14.rhodo.scaled.linux.4 → log.15May15.rhodo.scaled.icc.4}
	M			doc/Manual.html
	M			doc/Manual.pdf
	M			doc/Manual.txt
	M			doc/PDF/colvars-refman-lammps.pdf
	M			doc/Section_commands.html
	M			doc/Section_commands.txt
	M			doc/Section_howto.html
	M			doc/Section_howto.txt
	M			doc/Section_packages.html
	M			doc/Section_packages.txt
	M			doc/Section_python.html
	M			doc/Section_python.txt
	M			doc/Section_start.html
	M			doc/Section_start.txt
	M			doc/compute_angmom_chunk.html
	M			doc/compute_angmom_chunk.txt
	M			doc/compute_com.html
	M			doc/compute_com.txt
	M			doc/compute_fep.html
	M			doc/compute_fep.txt
	M			doc/compute_gyration.html
	M			doc/compute_gyration.txt
	M			doc/compute_heat_flux.html
	M			doc/compute_heat_flux.txt
	M			doc/compute_inertia_chunk.html
	M			doc/compute_inertia_chunk.txt
	M			doc/compute_msd.html
	M			doc/compute_msd.txt
	M			doc/compute_msd_chunk.html
	M			doc/compute_msd_chunk.txt
	M			doc/compute_omega_chunk.html
	M			doc/compute_omega_chunk.txt
	M			doc/compute_temp_chunk.html
	M			doc/compute_temp_chunk.txt
	M			doc/compute_temp_profile.html
	M			doc/compute_temp_profile.txt
	M			doc/compute_torque_chunk.html
	M			doc/compute_torque_chunk.txt
	M			doc/fix_adapt.html
	M			doc/fix_adapt.txt
	M			doc/fix_adapt_fep.html
	M			doc/fix_adapt_fep.txt
	M			doc/fix_atom_swap.html
	M			doc/fix_atom_swap.txt
	M			doc/fix_ave_chunk.html
	M			doc/fix_ave_chunk.txt
	M			doc/fix_ave_histo.html
	M			doc/fix_ave_histo.txt
	M			doc/fix_gcmc.html
	M			doc/fix_gcmc.txt
	M			doc/fix_gle.html
	M			doc/fix_gle.txt
	M			doc/fix_langevin.html
	M			doc/fix_langevin.txt
	M			doc/group.html
	M			doc/group.txt
	M			doc/pair_eam.html
	M			doc/pair_eam.txt
	M			doc/pair_kim.html
	M			doc/pair_kim.txt
	M			doc/pair_lj_soft.html
	M			doc/pair_lj_soft.txt
	M			doc/pair_style.html
	M			doc/pair_style.txt
	M			doc/pair_sw.html
	M			doc/pair_sw.txt
	M			doc/pair_table.html
	M			doc/pair_table.txt
	M			doc/pair_tersoff.html
	M			doc/pair_tersoff.txt
	M			doc/pair_tersoff_mod.html
	M			doc/pair_tersoff_mod.txt
	M			doc/pair_tersoff_zbl.html
	M			doc/pair_tersoff_zbl.txt
	M			doc/set.html
	M			doc/set.txt
	M			doc/special_bonds.html
	M			doc/special_bonds.txt
	M			doc/units.html
	M			doc/units.txt
	M			examples/USER/fep/CH4hyd/fdti01/fdti01.lmp
	M			examples/USER/fep/CH4hyd/fdti01/in.fdti01.lmp
	M			examples/USER/fep/CH4hyd/fdti01/log.lammps
	M			examples/USER/fep/CH4hyd/fdti10/fdti10.lmp
	M			examples/USER/fep/CH4hyd/fdti10/in.fdti10.lmp
	M			examples/USER/fep/CH4hyd/fdti10/log.lammps
	M			examples/USER/fep/CH4hyd/fep01/fep01.lmp
	M			examples/USER/fep/CH4hyd/fep01/in.fep01.lmp
	M			examples/USER/fep/CH4hyd/fep01/log.lammps
	M			examples/USER/fep/CH4hyd/fep10/fep10.lmp
	M			examples/USER/fep/CH4hyd/fep10/in.fep10.lmp
	M			examples/USER/fep/CH4hyd/fep10/log.lammps
	A			examples/balance/log.15May15.balance.bond.fast.g++.1
	A			examples/balance/log.15May15.balance.bond.fast.g++.4
	V			examples/balance/{log.15May15.balance.bond.slow.g++.1 ← log.balance.bond.slow.21Jan15.linux.1}
	V			examples/balance/{log.15May15.balance.bond.slow.g++.4 ← log.balance.bond.slow.21Jan15.linux.4}
	A			examples/balance/log.15May15.balance.g++.1
	A			examples/balance/log.15May15.balance.g++.4
	D			examples/balance/log.balance.8Aug14.linux.1
	D			examples/balance/log.balance.8Aug14.linux.4
	D			examples/balance/log.balance.bond.fast.21Jan15.linux.1
	D			examples/balance/log.balance.bond.fast.21Jan15.linux.4
	V			examples/balance/{log.balance.bond.slow.21Jan15.linux.1 → log.15May15.balance.bond.slow.g++.1}
	V			examples/balance/{log.balance.bond.slow.21Jan15.linux.4 → log.15May15.balance.bond.slow.g++.4}
	A			examples/body/log.15May15.body.g++.1
	A			examples/body/log.15May15.body.g++.4
	D			examples/body/log.body.1Feb14.linux.1
	D			examples/body/log.body.1Feb14.linux.4
	A			examples/colloid/log.15May15.colloid.g++.1
	A			examples/colloid/log.15May15.colloid.g++.4
	D			examples/colloid/log.colloid.1Feb14.linux.1
	D			examples/colloid/log.colloid.1Feb14.linux.4
	V			examples/comb/{log.15May15.comb.Cu.g++.1 ← log.comb.Cu.1Feb14.linux.1}
	V			examples/comb/{log.15May15.comb.Cu.g++.4 ← log.comb.Cu.1Feb14.linux.4}
	A			examples/comb/log.15May15.comb.Cu2O.elastic.g++.1
	A			examples/comb/log.15May15.comb.Cu2O.elastic.g++.4
	V			examples/comb/{log.15May15.comb.HfO2.g++.1 ← log.comb.HfO2.1Feb14.linux.1}
	V			examples/comb/{log.15May15.comb.HfO2.g++.4 ← log.comb.HfO2.1Feb14.linux.4}
	A			examples/comb/log.15May15.comb.Si.elastic.g++.1
	A			examples/comb/log.15May15.comb.Si.elastic.g++.4
	V			examples/comb/{log.15May15.comb.Si.g++.1 ← log.comb.Si.1Feb14.linux.1}
	V			examples/comb/{log.15May15.comb.Si.g++.4 ← log.comb.Si.1Feb14.linux.4}
	A			examples/comb/log.15May15.comb3.g++.1
	A			examples/comb/log.15May15.comb3.g++.4
	V			examples/comb/{log.comb.Cu.1Feb14.linux.1 → log.15May15.comb.Cu.g++.1}
	V			examples/comb/{log.comb.Cu.1Feb14.linux.4 → log.15May15.comb.Cu.g++.4}
	D			examples/comb/log.comb.Cu2O.elastic.1Feb14.linux.1
	D			examples/comb/log.comb.Cu2O.elastic.1Feb14.linux.4
	V			examples/comb/{log.comb.HfO2.1Feb14.linux.1 → log.15May15.comb.HfO2.g++.1}
	V			examples/comb/{log.comb.HfO2.1Feb14.linux.4 → log.15May15.comb.HfO2.g++.4}
	V			examples/comb/{log.comb.Si.1Feb14.linux.1 → log.15May15.comb.Si.g++.1}
	V			examples/comb/{log.comb.Si.1Feb14.linux.4 → log.15May15.comb.Si.g++.4}
	D			examples/comb/log.comb.Si.elastic.1Feb14.linux.1
	D			examples/comb/log.comb.Si.elastic.1Feb14.linux.4
	D			examples/comb/log.comb3.1Feb14.linux.1
	D			examples/comb/log.comb3.1Feb14.linux.4
	V			examples/crack/{log.15May15.crack.g++.1 ← log.crack.1Feb14.linux.1}
	V			examples/crack/{log.15May15.crack.g++.4 ← log.crack.1Feb14.linux.4}
	V			examples/crack/{log.crack.1Feb14.linux.1 → log.15May15.crack.g++.1}
	V			examples/crack/{log.crack.1Feb14.linux.4 → log.15May15.crack.g++.4}
	A			examples/deposit/log.15May15.deposit.atom.g++.1
	A			examples/deposit/log.15May15.deposit.atom.g++.4
	A			examples/deposit/log.15May15.deposit.molecule.g++.1
	A			examples/deposit/log.15May15.deposit.molecule.g++.4
	A			examples/deposit/log.15May15.deposit.molecule.shake.g++.1
	A			examples/deposit/log.15May15.deposit.molecule.shake.g++.4
	A			examples/dipole/log.15May15.dipole.g++.1
	A			examples/dipole/log.15May15.dipole.g++.4
	D			examples/dipole/log.dipole.1Feb14.linux.1
	D			examples/dipole/log.dipole.1Feb14.linux.4
	V			examples/dreiding/{log.15May15.dreiding.g++.1 ← log.dreiding.1Feb14.linux.1}
	V			examples/dreiding/{log.15May15.dreiding.g++.4 ← log.dreiding.1Feb14.linux.4}
	V			examples/dreiding/{log.dreiding.1Feb14.linux.1 → log.15May15.dreiding.g++.1}
	V			examples/dreiding/{log.dreiding.1Feb14.linux.4 → log.15May15.dreiding.g++.4}
	V			examples/eim/{log.15May15.eim.g++.1 ← log.eim.1Feb14.linux.1}
	V			examples/eim/{log.15May15.eim.g++.4 ← log.eim.1Feb14.linux.4}
	V			examples/eim/{log.eim.1Feb14.linux.1 → log.15May15.eim.g++.1}
	V			examples/eim/{log.eim.1Feb14.linux.4 → log.15May15.eim.g++.4}
	A			examples/ellipse/log.15May15.ellipse.gayberne.g++.1
	A			examples/ellipse/log.15May15.ellipse.gayberne.g++.4
	A			examples/ellipse/log.15May15.ellipse.resquared.g++.1
	A			examples/ellipse/log.15May15.ellipse.resquared.g++.4
	D			examples/ellipse/log.ellipse.gayberne.1Feb14.linux.1
	D			examples/ellipse/log.ellipse.gayberne.1Feb14.linux.4
	D			examples/ellipse/log.ellipse.resquared.1Feb14.linux.1
	D			examples/ellipse/log.ellipse.resquared.1Feb14.linux.4
	V			examples/flow/{log.15May15.flow.couette.g++.1 ← log.flow.couette.1Feb14.linux.1}
	V			examples/flow/{log.15May15.flow.couette.g++.4 ← log.flow.couette.1Feb14.linux.4}
	V			examples/flow/{log.15May15.flow.pois.g++.1 ← log.flow.pois.1Feb14.linux.1}
	V			examples/flow/{log.15May15.flow.pois.g++.4 ← log.flow.pois.1Feb14.linux.4}
	V			examples/flow/{log.flow.couette.1Feb14.linux.1 → log.15May15.flow.couette.g++.1}
	V			examples/flow/{log.flow.couette.1Feb14.linux.4 → log.15May15.flow.couette.g++.4}
	V			examples/flow/{log.flow.pois.1Feb14.linux.1 → log.15May15.flow.pois.g++.1}
	V			examples/flow/{log.flow.pois.1Feb14.linux.4 → log.15May15.flow.pois.g++.4}
	V			examples/friction/{log.15May15.friction.g++.1 ← log.friction.1Feb14.linux.1}
	V			examples/friction/{log.15May15.friction.g++.4 ← log.friction.1Feb14.linux.4}
	V			examples/friction/{log.friction.1Feb14.linux.1 → log.15May15.friction.g++.1}
	V			examples/friction/{log.friction.1Feb14.linux.4 → log.15May15.friction.g++.4}
	V			examples/hugoniostat/{log.15May15.hugoniostat.g++.1 ← log.hugoniostat.1Feb14.linux.1}
	V			examples/hugoniostat/{log.15May15.hugoniostat.g++.4 ← log.hugoniostat.1Feb14.linux.4}
	V			examples/hugoniostat/{log.hugoniostat.1Feb14.linux.1 → log.15May15.hugoniostat.g++.1}
	V			examples/hugoniostat/{log.hugoniostat.1Feb14.linux.4 → log.15May15.hugoniostat.g++.4}
	A			examples/indent/log.15May15.indent.g++.1
	A			examples/indent/log.15May15.indent.g++.4
	A			examples/indent/log.15May15.indent.min.g++.1
	A			examples/indent/log.15May15.indent.min.g++.4
	D			examples/indent/log.indent.1Feb14.linux.1
	D			examples/indent/log.indent.1Feb14.linux.4
	D			examples/indent/log.indent.min.1Feb14.linux.1
	D			examples/indent/log.indent.min.1Feb14.linux.4
	V			examples/kim/{log.kim.lj.27Jul14.ubuntu.1 → log.kim.lj.28jun15.ubuntu.1}
	V			examples/kim/{log.kim.lj.27Jul14.ubuntu.4 → log.kim.lj.28jun15.ubuntu.4}
	V			examples/kim/{log.kim.lj.28jun15.ubuntu.1 ← log.kim.lj.27Jul14.ubuntu.1}
	V			examples/kim/{log.kim.lj.28jun15.ubuntu.4 ← log.kim.lj.27Jul14.ubuntu.4}
	V			examples/kim/{log.kim.lj.lmp.27Jul14.ubuntu.1 → log.kim.lj.lmp.28jun15.ubuntu.1}
	V			examples/kim/{log.kim.lj.lmp.27Jul14.ubuntu.4 → log.kim.lj.lmp.28jun15.ubuntu.4}
	V			examples/kim/{log.kim.lj.lmp.28jun15.ubuntu.1 ← log.kim.lj.lmp.27Jul14.ubuntu.1}
	V			examples/kim/{log.kim.lj.lmp.28jun15.ubuntu.4 ← log.kim.lj.lmp.27Jul14.ubuntu.4}
	V			examples/meam/{log.15May15.meam.icc.1 ← log.meam.1Feb14.linux.1}
	V			examples/meam/{log.15May15.meam.icc.4 ← log.meam.1Feb14.linux.4}
	V			examples/meam/{log.15May15.meam.shear.icc.1 ← log.meam.shear.1Feb14.linux.1}
	V			examples/meam/{log.15May15.meam.shear.icc.4 ← log.meam.shear.1Feb14.linux.4}
	V			examples/meam/{log.meam.1Feb14.linux.1 → log.15May15.meam.icc.1}
	V			examples/meam/{log.meam.1Feb14.linux.4 → log.15May15.meam.icc.4}
	V			examples/meam/{log.meam.shear.1Feb14.linux.1 → log.15May15.meam.shear.icc.1}
	V			examples/meam/{log.meam.shear.1Feb14.linux.4 → log.15May15.meam.shear.icc.4}
	V			examples/melt/{log.15May15.melt.g++.1 ← log.melt.1Feb14.linux.1}
	V			examples/melt/{log.15May15.melt.g++.4 ← log.melt.1Feb14.linux.4}
	V			examples/melt/{log.melt.1Feb14.linux.1 → log.15May15.melt.g++.1}
	V			examples/melt/{log.melt.1Feb14.linux.4 → log.15May15.melt.g++.4}
	A			examples/micelle/log.15May15.micelle.g++.1
	A			examples/micelle/log.15May15.micelle.g++.4
	D			examples/micelle/log.micelle.1Feb14.linux.1
	D			examples/micelle/log.micelle.1Feb14.linux.4
	A			examples/min/log.15May15.min.box.g++.1
	A			examples/min/log.15May15.min.box.g++.4
	A			examples/min/log.15May15.min.g++.1
	A			examples/min/log.15May15.min.g++.4
	D			examples/min/log.min.1Feb14.linux.1
	D			examples/min/log.min.1Feb14.linux.4
	D			examples/min/log.min.box.1Feb14.linux.1
	D			examples/min/log.min.box.1Feb14.linux.4
	V			examples/msst/{log.15May15.msst.g++.1 ← log.msst.1Feb14.linux.1}
	V			examples/msst/{log.15May15.msst.g++.4 ← log.msst.1Feb14.linux.4}
	V			examples/msst/{log.msst.1Feb14.linux.1 → log.15May15.msst.g++.1}
	V			examples/msst/{log.msst.1Feb14.linux.4 → log.15May15.msst.g++.4}
	V			examples/nb3b/{log.15May15.nb3b.g++.1 ← log.nb3b.1Feb14.linux.1}
	V			examples/nb3b/{log.15May15.nb3b.g++.4 ← log.nb3b.1Feb14.linux.4}
	V			examples/nb3b/{log.nb3b.1Feb14.linux.1 → log.15May15.nb3b.g++.1}
	V			examples/nb3b/{log.nb3b.1Feb14.linux.4 → log.15May15.nb3b.g++.4}
	A			examples/nemd/log.15May15.nemd.g++.1
	A			examples/nemd/log.15May15.nemd.g++.4
	D			examples/nemd/log.nemd.1Feb14.linux.1
	D			examples/nemd/log.nemd.1Feb14.linux.4
	A			examples/obstacle/log.15May15.obstacle.g++.1
	A			examples/obstacle/log.15May15.obstacle.g++.4
	D			examples/obstacle/log.obstacle.1Feb14.linux.1
	D			examples/obstacle/log.obstacle.1Feb14.linux.4
	V			examples/peptide/{log.15May15.peptide.g++.1 ← log.peptide.1Feb14.linux.1}
	V			examples/peptide/{log.15May15.peptide.g++.4 ← log.peptide.1Feb14.linux.4}
	V			examples/peptide/{log.peptide.1Feb14.linux.1 → log.15May15.peptide.g++.1}
	V			examples/peptide/{log.peptide.1Feb14.linux.4 → log.15May15.peptide.g++.4}
	V			examples/peri/{log.15May15.peri.g++.1 ← log.peri.1Feb14.linux.1}
	V			examples/peri/{log.15May15.peri.g++.4 ← log.peri.1Feb14.linux.4}
	V			examples/peri/{log.peri.1Feb14.linux.1 → log.15May15.peri.g++.1}
	V			examples/peri/{log.peri.1Feb14.linux.4 → log.15May15.peri.g++.4}
	V			examples/pour/{log.15May15.pour.2d.g++.1 ← log.pour.2d.1Feb14.linux.1}
	V			examples/pour/{log.15May15.pour.2d.g++.4 ← log.pour.2d.1Feb14.linux.4}
	A			examples/pour/log.15May15.pour.2d.molecule.g++.1
	A			examples/pour/log.15May15.pour.2d.molecule.g++.4
	A			examples/pour/log.15May15.pour.g++.1
	A			examples/pour/log.15May15.pour.g++.4
	D			examples/pour/log.pour.1Feb14.linux.1
	D			examples/pour/log.pour.1Feb14.linux.4
	V			examples/pour/{log.pour.2d.1Feb14.linux.1 → log.15May15.pour.2d.g++.1}
	V			examples/pour/{log.pour.2d.1Feb14.linux.4 → log.15May15.pour.2d.g++.4}
	D			examples/pour/log.pour.2d.molecule.1Feb14.linux.1
	D			examples/pour/log.pour.2d.molecule.1Feb14.linux.4
	V			examples/qeq/{log.15May15.qeq.buck.g++.1 ← log.qeq.buck.8Sep14.linux.1}
	V			examples/qeq/{log.15May15.qeq.buck.g++.4 ← log.qeq.buck.8Sep14.linux.4}
	V			examples/qeq/{log.15May15.qeq.reaxc.g++.1 ← log.qeq.reaxc.8Sep14.linux.1}
	V			examples/qeq/{log.15May15.qeq.reaxc.g++.4 ← log.qeq.reaxc.8Sep14.linux.4}
	V			examples/qeq/{log.qeq.buck.8Sep14.linux.1 → log.15May15.qeq.buck.g++.1}
	V			examples/qeq/{log.qeq.buck.8Sep14.linux.4 → log.15May15.qeq.buck.g++.4}
	V			examples/qeq/{log.qeq.reaxc.8Sep14.linux.1 → log.15May15.qeq.reaxc.g++.1}
	V			examples/qeq/{log.qeq.reaxc.8Sep14.linux.4 → log.15May15.qeq.reaxc.g++.4}
	A			examples/reax/log.15May15.reax.rdx.g++.1
	A			examples/reax/log.15May15.reax.rdx.g++.4
	V			examples/reax/{log.15May15.reax.tatb.g++.1 ← log.reax.tatb.1Feb14.linux.1}
	V			examples/reax/{log.15May15.reax.tatb.g++.4 ← log.reax.tatb.1Feb14.linux.4}
	A			examples/reax/log.15May15.reaxc.rdx.g++.1
	A			examples/reax/log.15May15.reaxc.rdx.g++.4
	V			examples/reax/{log.15May15.reaxc.tatb.g++.1 ← log.reaxc.tatb.1Feb14.linux.1}
	V			examples/reax/{log.15May15.reaxc.tatb.g++.4 ← log.reaxc.tatb.1Feb14.linux.4}
	D			examples/reax/log.reax.rdx.1Feb14.linux.1
	D			examples/reax/log.reax.rdx.1Feb14.linux.4
	V			examples/reax/{log.reax.tatb.1Feb14.linux.1 → log.15May15.reax.tatb.g++.1}
	V			examples/reax/{log.reax.tatb.1Feb14.linux.4 → log.15May15.reax.tatb.g++.4}
	D			examples/reax/log.reaxc.rdx.1Feb14.linux.1
	D			examples/reax/log.reaxc.rdx.1Feb14.linux.4
	V			examples/reax/{log.reaxc.tatb.1Feb14.linux.1 → log.15May15.reaxc.tatb.g++.1}
	V			examples/reax/{log.reaxc.tatb.1Feb14.linux.4 → log.15May15.reaxc.tatb.g++.4}
	V			examples/rigid/{log.15May15.rigid.g++.1 ← log.rigid.1Feb14.linux.1}
	V			examples/rigid/{log.15May15.rigid.g++.4 ← log.rigid.1Feb14.linux.4}
	A			examples/rigid/log.15May15.rigid.poems.g++.1
	A			examples/rigid/log.15May15.rigid.poems.g++.4
	A			examples/rigid/log.15May15.rigid.poems2.g++.1
	A			examples/rigid/log.15May15.rigid.poems2.g++.4
	A			examples/rigid/log.15May15.rigid.tnr.g++.1
	A			examples/rigid/log.15May15.rigid.tnr.g++.4
	V			examples/rigid/{log.rigid.1Feb14.linux.1 → log.15May15.rigid.g++.1}
	V			examples/rigid/{log.rigid.1Feb14.linux.4 → log.15May15.rigid.g++.4}
	D			examples/rigid/log.rigid.poems.1Feb14.linux.1
	D			examples/rigid/log.rigid.poems.1Feb14.linux.4
	D			examples/rigid/log.rigid.poems2.1Feb14.linux.1
	D			examples/rigid/log.rigid.poems2.1Feb14.linux.4
	D			examples/rigid/log.rigid.tnr.1Feb14.linux.1
	D			examples/rigid/log.rigid.tnr.1Feb14.linux.4
	V			examples/shear/{log.15May15.shear.g++.1 ← log.shear.1Feb14.linux.1}
	V			examples/shear/{log.15May15.shear.g++.4 ← log.shear.1Feb14.linux.4}
	V			examples/shear/{log.15May15.shear.void.g++.1 ← log.shear.void.1Feb14.linux.1}
	V			examples/shear/{log.15May15.shear.void.g++.4 ← log.shear.void.1Feb14.linux.4}
	V			examples/shear/{log.shear.1Feb14.linux.1 → log.15May15.shear.g++.1}
	V			examples/shear/{log.shear.1Feb14.linux.4 → log.15May15.shear.g++.4}
	V			examples/shear/{log.shear.void.1Feb14.linux.1 → log.15May15.shear.void.g++.1}
	V			examples/shear/{log.shear.void.1Feb14.linux.4 → log.15May15.shear.void.g++.4}
	V			examples/snap/{log.15May15.snap.g++.1 ← log.snap.5Sep14.linux.1}
	V			examples/snap/{log.15May15.snap.g++.4 ← log.snap.5Sep14.linux.4}
	V			examples/snap/{log.snap.5Sep14.linux.1 → log.15May15.snap.g++.1}
	V			examples/snap/{log.snap.5Sep14.linux.4 → log.15May15.snap.g++.4}
	A			examples/srd/log.15May15.srd.mixture.g++.1
	A			examples/srd/log.15May15.srd.mixture.g++.4
	V			examples/srd/{log.15May15.srd.pure.g++.1 ← log.srd.pure.1Feb14.linux.1}
	V			examples/srd/{log.15May15.srd.pure.g++.4 ← log.srd.pure.1Feb14.linux.4}
	D			examples/srd/log.srd.mixture.1Feb14.linux.1
	D			examples/srd/log.srd.mixture.1Feb14.linux.4
	V			examples/srd/{log.srd.pure.1Feb14.linux.1 → log.15May15.srd.pure.g++.1}
	V			examples/srd/{log.srd.pure.1Feb14.linux.4 → log.15May15.srd.pure.g++.4}
	V			examples/streitz/{log.15May15.streitz.ewald.g++.1 ← log.streitz.ewald.19Feb15.linux.1}
	V			examples/streitz/{log.15May15.streitz.ewald.g++.4 ← log.streitz.ewald.19Feb15.linux.4}
	V			examples/streitz/{log.15May15.streitz.wolf.g++.1 ← log.streitz.wolf.19Feb15.linux.1}
	V			examples/streitz/{log.15May15.streitz.wolf.g++.4 ← log.streitz.wolf.19Feb15.linux.4}
	V			examples/streitz/{log.streitz.ewald.19Feb15.linux.1 → log.15May15.streitz.ewald.g++.1}
	V			examples/streitz/{log.streitz.ewald.19Feb15.linux.4 → log.15May15.streitz.ewald.g++.4}
	V			examples/streitz/{log.streitz.wolf.19Feb15.linux.1 → log.15May15.streitz.wolf.g++.1}
	V			examples/streitz/{log.streitz.wolf.19Feb15.linux.4 → log.15May15.streitz.wolf.g++.4}
	A			examples/voronoi/log.15May15.voronoi.g++.1
	A			examples/voronoi/log.15May15.voronoi.g++.4
	M			lib/README
	M			lib/colvars/Makefile.fermi
	M			lib/colvars/Makefile.g++
	M			lib/colvars/Makefile.mingw32-cross
	M			lib/colvars/Makefile.mingw64-cross
	M			lib/colvars/colvar.cpp
	M			lib/colvars/colvar.h
	M			lib/colvars/colvaratoms.cpp
	M			lib/colvars/colvaratoms.h
	M			lib/colvars/colvarbias.h
	M			lib/colvars/colvarbias_abf.cpp
	M			lib/colvars/colvarbias_abf.h
	A			lib/colvars/colvarbias_histogram.cpp
	A			lib/colvars/colvarbias_histogram.h
	M			lib/colvars/colvarbias_meta.cpp
	M			lib/colvars/colvarbias_meta.h
	M			lib/colvars/colvarbias_restraint.h
	M			lib/colvars/colvarcomp_distances.cpp
	M			lib/colvars/colvarcomp_rotations.cpp
	M			lib/colvars/colvarmodule.cpp
	M			lib/colvars/colvarmodule.h
	M			lib/colvars/colvarparse.cpp
	M			lib/colvars/colvarparse.h
	M			lib/colvars/colvarscript.cpp
	M			lib/colvars/colvartypes.cpp
	M			lib/gpu/lal_coul_dsf.cu
	M			lib/gpu/lal_lj_dsf.cu
	M			lib/kim/Makefile.lammps
	M			lib/kim/README
	A			lib/kim/pair-kim.release.info
	M			lib/quip/Makefile.lammps
	M			lib/quip/README
	M			python/install.py
	M			python/lammps.py
	M			src/Depend.sh
	M			src/GPU/pair_coul_dsf_gpu.cpp
	M			src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
	M			src/KIM/README
	M			src/KIM/pair_kim.cpp
	M			src/KIM/pair_kim.h
	M			src/KOKKOS/Install.sh
	M			src/KOKKOS/improper_harmonic_kokkos.h
	M			src/KOKKOS/kokkos_type.h
	M			src/KOKKOS/neigh_full_kokkos.h
	M			src/KOKKOS/neigh_list_kokkos.cpp
	M			src/KOKKOS/neigh_list_kokkos.h
	M			src/KOKKOS/neighbor_kokkos.cpp
	M			src/KOKKOS/neighbor_kokkos.h
	M			src/KOKKOS/pair_buck_coul_long_kokkos.cpp
	M			src/KOKKOS/pair_coul_long_kokkos.cpp
	A			src/KOKKOS/pair_eam_alloy_kokkos.cpp
	A			src/KOKKOS/pair_eam_alloy_kokkos.h
	A			src/KOKKOS/pair_eam_fs_kokkos.cpp
	A			src/KOKKOS/pair_eam_fs_kokkos.h
	M			src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
	M			src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
	M			src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
	M			src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
	M			src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
	A			src/KOKKOS/pair_sw_kokkos.cpp
	A			src/KOKKOS/pair_sw_kokkos.h
	A			src/KOKKOS/pair_tersoff_kokkos.cpp
	A			src/KOKKOS/pair_tersoff_kokkos.h
	A			src/KOKKOS/pair_tersoff_mod_kokkos.cpp
	A			src/KOKKOS/pair_tersoff_mod_kokkos.h
	A			src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
	A			src/KOKKOS/pair_tersoff_zbl_kokkos.h
	M			src/KSPACE/pair_coul_long.cpp
	M			src/KSPACE/pppm.cpp
	M			src/KSPACE/pppm_disp.cpp
	M			src/MANYBODY/pair_sw.cpp
	M			src/MANYBODY/pair_sw.h
	M			src/MANYBODY/pair_tersoff.cpp
	M			src/MANYBODY/pair_tersoff.h
	M			src/MANYBODY/pair_tersoff_mod.h
	M			src/MC/fix_gcmc.cpp
	M			src/MC/fix_gcmc.h
	M			src/Make.py
	M			src/REPLICA/verlet_split.cpp
	M			src/RIGID/fix_rigid_nh_small.cpp
	M			src/RIGID/fix_rigid_small.cpp
	M			src/USER-COLVARS/colvarproxy_lammps.h
	M			src/USER-MISC/pair_meam_spline.h
	M			src/USER-MISC/pair_meam_sw_spline.h
	M			src/USER-OMP/pair_born_coul_wolf_omp.cpp
	M			src/USER-OMP/pair_coul_dsf_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
	M			src/compute.cpp
	M			src/compute_chunk_atom.cpp
	M			src/compute_com_chunk.cpp
	M			src/compute_gyration_chunk.cpp
	M			src/compute_pressure.cpp
	M			src/compute_temp_chunk.cpp
	M			src/compute_temp_profile.cpp
	M			src/compute_vcm_chunk.cpp
	M			src/domain.cpp
	M			src/domain.h
	M			src/fix_ave_chunk.cpp
	M			src/fix_ave_spatial.cpp
	M			src/fix_langevin.cpp
	M			src/fix_langevin.h
	M			src/fix_move.cpp
	M			src/fix_nve_limit.cpp
	M			src/fix_temp_csvr.cpp
	M			src/pair.cpp
	M			src/pair_born_coul_wolf.cpp
	M			src/pair_coul_dsf.cpp
	M			src/pair_coul_wolf.cpp
	M			src/pair_lj_cut_coul_dsf.cpp
	M			src/pair_lj_expand.cpp
	M			src/pair_morse.cpp
	M			src/pair_morse.h
	M			src/read_data.cpp
	M			src/read_restart.cpp
	M			src/special.cpp
	M			src/update.cpp
	M			src/version.h
	M			src/write_restart.cpp
	M			tools/chain.f