Diffusion lammps 9f6e126a2f2e

Merge pull request #437 from ohenrich/user-cgdna
9f6e126a2f2e
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Authored by sjplimp <sjplimp@sandia.gov> on Mar 28 2017, 20:52.

Description

Merge pull request #437 from ohenrich/user-cgdna

User cgdna

Details

Committed

GitHub <noreply@github.com>

Mar 28 2017, 20:52

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS5c1f5462e792: Removed contribution line from header files
rLAMMPS645f56cf7021: Merge pull request #436 from Pakketeretet2/better_incorrect_input_handling_nh

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Event Timeline

GitHub <noreply@github.com> committed rLAMMPS9f6e126a2f2e: Merge pull request #437 from ohenrich/user-cgdna (authored by sjplimp <sjplimp@sandia.gov>).Mar 28 2017, 20:52

Merged Changes

Commit	Author	Details	Committed
5c1f5462e792	Oliver Henrich	Removed contribution line from header files	Mar 28 2017
66a6375405b6	Oliver Henrich	Resolved merge conflict	Mar 28 2017
604afebf6fef	Oliver Henrich	Update to oxDNA2	Mar 28 2017
8afed61db1c8	Oliver Henrich	Upgrade to oxDNA2	Mar 28 2017
af0b5b0e84e1	Oliver Henrich	Removed dead code	Mar 22 2017
743508437575	Oliver Henrich	Verified oxDNA with modified nucleotide layout	Mar 22 2017

Changes (66)

		Path
M		doc/src/PDF/USER-CGDNA-overview.pdf
M		doc/src/Section_packages.txt
M		doc/src/bond_oxdna.txt
M		doc/src/bonds.txt
M		doc/src/pair_oxdna.txt
A		doc/src/pair_oxdna2.txt
M		doc/src/pairs.txt
M		examples/USER/cgdna/README
D		examples/USER/cgdna/examples/duplex1
D		examples/USER/cgdna/examples/duplex1/data.duplex1
D		examples/USER/cgdna/examples/duplex1/input.duplex1
D		examples/USER/cgdna/examples/duplex1/log.9Jan17.duplex1.g++.1
D		examples/USER/cgdna/examples/duplex1/log.9Jan17.duplex1.g++.4
D		examples/USER/cgdna/examples/duplex2
D		examples/USER/cgdna/examples/duplex2/data.duplex2
D		examples/USER/cgdna/examples/duplex2/input.duplex2
D		examples/USER/cgdna/examples/duplex2/log.9Jan17.duplex2.g++.1
D		examples/USER/cgdna/examples/duplex2/log.9Jan17.duplex2.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA/
A	(dir)	examples/USER/cgdna/examples/oxDNA/duplex1/
A		examples/USER/cgdna/examples/oxDNA/duplex1/data.duplex1
A		examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1
A		examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
A		examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA/duplex2/
A		examples/USER/cgdna/examples/oxDNA/duplex2/data.duplex2
A		examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2
A		examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
A		examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA2/
A	(dir)	examples/USER/cgdna/examples/oxDNA2/duplex1/
A		examples/USER/cgdna/examples/oxDNA2/duplex1/data.duplex1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA2/duplex2/
A		examples/USER/cgdna/examples/oxDNA2/duplex2/data.duplex2
A		examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2
A		examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
A		examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
M		examples/USER/cgdna/util/sequence_simple.txt
A		src/USER-CGDNA/bond_oxdna2_fene.cpp
P		src/USER-CGDNA/bond_oxdna2_fene.h Copied from src/USER-CGDNA/bond_oxdna_fene.h
M		src/USER-CGDNA/bond_oxdna_fene.cpp
P		src/USER-CGDNA/bond_oxdna_fene.h Copied to src/USER-CGDNA/bond_oxdna2_fene.h
M		src/USER-CGDNA/fix_nve_dot.cpp
M		src/USER-CGDNA/fix_nve_dotc_langevin.cpp
M		src/USER-CGDNA/mf_oxdna.h
P		src/USER-CGDNA/pair_oxdna2_coaxstk.cpp Copied from src/USER-CGDNA/pair_oxdna_coaxstk.cpp
P		src/USER-CGDNA/pair_oxdna2_coaxstk.h Copied from src/USER-CGDNA/pair_oxdna_coaxstk.h
A		src/USER-CGDNA/pair_oxdna2_dh.cpp
P		src/USER-CGDNA/pair_oxdna2_dh.h Copied from src/USER-CGDNA/pair_oxdna_excv.h
A		src/USER-CGDNA/pair_oxdna2_excv.cpp
A		src/USER-CGDNA/pair_oxdna2_excv.h
A		src/USER-CGDNA/pair_oxdna2_stk.cpp
A		src/USER-CGDNA/pair_oxdna2_stk.h
P		src/USER-CGDNA/pair_oxdna_coaxstk.cpp Copied to src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
P		src/USER-CGDNA/pair_oxdna_coaxstk.h Copied to src/USER-CGDNA/pair_oxdna2_coaxstk.h
M		src/USER-CGDNA/pair_oxdna_excv.cpp
P		src/USER-CGDNA/pair_oxdna_excv.h Copied to src/USER-CGDNA/pair_oxdna2_dh.h
M		src/USER-CGDNA/pair_oxdna_hbond.cpp
M		src/USER-CGDNA/pair_oxdna_hbond.h
M		src/USER-CGDNA/pair_oxdna_stk.cpp
M		src/USER-CGDNA/pair_oxdna_stk.h
M		src/USER-CGDNA/pair_oxdna_xstk.cpp
M		src/USER-CGDNA/pair_oxdna_xstk.h