Diffusion lammps 5adc1859a162

Merge branch 'respa-for-fixes' into lammps-icms
5adc1859a162
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 16 2016, 23:53.

Description

Merge branch 'respa-for-fixes' into lammps-icms

add support for selecting RESPA level for (some) fixes.
This closes #88.

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jun 16 2016, 23:53

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS101a1a459a04: add respa level support to a large number of fixes
rLAMMPS10e934b016cd: cleanup for fix ttm/mod

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS5adc1859a162: Merge branch 'respa-for-fixes' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 16 2016, 23:53

Merged Changes

Commit	Author	Details	Committed
101a1a459a04	Axel Kohlmeyer	add respa level support to a large number of fixes	Jun 16 2016
3922c14fbcda	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 16 2016
e2c3ecb7e802	Axel Kohlmeyer	converted fix wall/region to support selecting RESPA level	Jun 16 2016
4298828d6a97	Axel Kohlmeyer	implement changes suggested by steve to move the fix_modify respa parsing into…	Jun 15 2016
92371fbdaffc	Axel Kohlmeyer	tweak output for respa levels	Jun 15 2016
96f118ff6bb0	Axel Kohlmeyer	implement tweaks requested by steve. also do not enforce respa being active and…	Jun 15 2016
957b77d2137b	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 15 2016
4b8b1d741879	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 14 2016
77dd30292afe	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 14 2016
5a950e73bf89	Axel Kohlmeyer	3 new test cases to check adjusting the respa level for fixes	Jun 14 2016
ffd1418c2d13	Axel Kohlmeyer	remove redundant line of output	Jun 14 2016
fdf44247e1bb	Axel Kohlmeyer	add documentation for fix_modify respa_level option	Jun 14 2016
425f6537ec2a	Axel Kohlmeyer	update respa information (print time step for all levels), adjusted fix respa…	Jun 14 2016
ef4e0d163a20	Axel Kohlmeyer	can only set respa_level for fix if r-RESPA active. fix off-by-one error	Jun 13 2016
efb32612f971	Axel Kohlmeyer	convert fix setforce to the new respa level scheme	Jun 13 2016
87735a8e3d44	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 13 2016
e150f711961e	Axel Kohlmeyer	Merge branch 'lammps-icms' into respa-for-fixes	Jun 10 2016
b7471edf37c6	Axel Kohlmeyer	prototype implementation, that will allow to select the respa level where fixes…	Jun 10 2016

Changes (54)

				Path
	M			doc/src/fix_modify.txt
	M			doc/src/fix_setforce.txt
	M			doc/src/fix_spring_self.txt
	M			doc/src/run_style.txt
	M			src/MANYBODY/fix_qeq_comb.cpp
	M			src/MANYBODY/fix_qeq_comb.h
	M			src/MISC/fix_efield.cpp
	M			src/MISC/fix_efield.h
	M			src/MISC/fix_orient_bcc.cpp
	M			src/MISC/fix_orient_bcc.h
	M			src/MISC/fix_orient_fcc.cpp
	M			src/MISC/fix_orient_fcc.h
	M			src/USER-MISC/fix_addtorque.cpp
	M			src/USER-MISC/fix_addtorque.h
	M			src/USER-MISC/fix_smd.cpp
	M			src/USER-MISC/fix_smd.h
	M			src/USER-OMP/fix_gravity_omp.cpp
	M			src/USER-OMP/fix_qeq_comb_omp.cpp
	M			src/USER-OMP/respa_omp.cpp
	M			src/fix.cpp
	M			src/fix.h
	M			src/fix_addforce.cpp
	M			src/fix_addforce.h
	M			src/fix_aveforce.cpp
	M			src/fix_aveforce.h
	M			src/fix_drag.cpp
	M			src/fix_drag.h
	M			src/fix_gravity.cpp
	M			src/fix_gravity.h
	M			src/fix_indent.cpp
	M			src/fix_indent.h
	M			src/fix_restrain.cpp
	M			src/fix_restrain.h
	M			src/fix_setforce.cpp
	M			src/fix_setforce.h
	M			src/fix_spring.cpp
	M			src/fix_spring.h
	M			src/fix_spring_chunk.cpp
	M			src/fix_spring_chunk.h
	M			src/fix_spring_rg.cpp
	M			src/fix_spring_rg.h
	M			src/fix_spring_self.cpp
	M			src/fix_spring_self.h
	M			src/fix_viscous.cpp
	M			src/fix_viscous.h
	M			src/fix_wall.cpp
	M			src/fix_wall.h
	M			src/fix_wall_region.cpp
	M			src/fix_wall_region.h
	M			src/modify.h
	M			src/respa.cpp
	A			test/02_commands/in.respa-200
	A			test/02_commands/in.respa-201
	A			test/02_commands/in.respa-202