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Merge remote branch 'lammps-ro/master' into lammps-icms
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Apr 5 2014, 12:58.

Description

Merge remote branch 'lammps-ro/master' into lammps-icms

Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/fix_qmmm.txt
doc/fix_recenter.txt
lib/README
lib/qmmm/README
src/Makefile
src/USER-QMMM/README

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Apr 5 2014, 12:58
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPSb3fdf339f0f2: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11721 f3b2605a-c512-4ea7…
rLAMMPSe29324f4494b: Updated the QM/MM library readme file to contain more detailed explanations of…
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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS20bb47e06a1f: Merge remote branch 'lammps-ro/master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Apr 5 2014, 12:58

Merged Changes

CommitAuthorDetailsCommitted
b3fdf339f0f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11721 f3b2605a-c512-4ea7… 
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Apr 4 2014

Changes (82)

Path
Mdoc/Manual.html
Mdoc/Manual.txt
Mdoc/Section_commands.html
Mdoc/Section_intro.html
Mdoc/Section_intro.txt
Mdoc/Section_packages.html
Mdoc/Section_packages.txt
Mdoc/dump_molfile.html
Mdoc/dump_molfile.txt
Adoc/fix_qmmm.html
Mdoc/fix_qmmm.txt
Mdoc/fix_recenter.html
Mdoc/fix_recenter.txt
Mexamples/KAPPA/in.heatflux
Mlib/README
Msrc/Makefile
Msrc/USER-QMMM/README
Msrc/irregular.cpp
Msrc/version.h
Mtools/moltemplate/LICENSE.TXT
Mtools/moltemplate/README.TXT
A(dir)tools/moltemplate/common/oplsaa/
Atools/moltemplate/common/oplsaa/AUTHOR.TXT
Atools/moltemplate/common/oplsaa/README.TXT
Atools/moltemplate/common/oplsaa/oplsaa.txt
Atools/moltemplate/common/oplsaa/oplsaa_moltemplate.py
Mtools/moltemplate/common/trappe1998.lt
Mtools/moltemplate/examples/CG_biomolecules/membrane_BranniganPRE2005/moltemplate_files/CGLipidBr2005Orig.lt
A(dir)tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_FIRST.txt
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_NUCLEAR_VOLUME_FRACTION_ESTIMATE.txt
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_run.sh
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_setup.sh
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_visualize.txt
A(dir)tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/stage2_interior.jpg
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/stage2_interior_rotated.jpg
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/t=0_before_minimizaion.jpg
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/vmd_colorscale_jet.tcl
A(dir)tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/README_how_to_generate_system_lt.sh
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/README_length_flexibility_details.txt
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/calc_table.sh
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/condensin.lt
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/coords_orig.raw
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/generate_system_lt.py
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/interpolate_coords.py
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/monomer.lt
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/table_bonds_stage2.dat
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/run.in.min
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/run.in.stage1
Atools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/run.in.stage2
Mtools/moltemplate/examples/all_atom_examples/AMBER_force_field_examples/waterTIP3P+isobutane/moltemplate_files/isobutane.lt
A(dir)tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/WARNING.TXT
A(dir)tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README.TXT
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README_run.sh
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README_setup.sh
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README_visualize.txt
A(dir)tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/images/
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/images/ethylene.jpg
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/images/ethylene_box_pressure=50barr.jpg
A(dir)tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/ethylene.lt
A(dir)tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/AUTHOR.TXT
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/README.TXT
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/oplsaa.txt
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/oplsaa_moltemplate.py
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/oplsaa_subset.txt
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/system.lt
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/run.in.npt
Atools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/run.in.nvt
Atools/moltemplate/examples/all_atom_examples/ice_crystal/images/ice_rect8_unitcell.png
Mtools/moltemplate/examples/all_atom_examples/waterSPCE+Na+Cl/moltemplate_files/ions.lt
Mtools/moltemplate/moltemplate_manual.pdf
A(dir)tools/moltemplate/src/docs_useful_scripts/
Atools/moltemplate/src/docs_useful_scripts/docs_dump2data.txt
Mtools/moltemplate/src/dump2data.py
Mtools/moltemplate/src/moltemplate.sh
Mtools/moltemplate/src/ttree_matrix_stack.py

rLAMMPS20bb47e06a1f

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doc/Manual.html

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examples/KAPPA/in.heatflux

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lib/README

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src/Makefile

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src/USER-QMMM/README

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src/irregular.cpp

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src/version.h

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tools/moltemplate/LICENSE.TXT

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tools/moltemplate/common/oplsaa/oplsaa_moltemplate.py

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/README_visualize.txt

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/images/stage2_interior.jpg

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/README_length_flexibility_details.txt

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/calc_table.sh

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/condensin.lt

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/coords_orig.raw

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/generate_system_lt.py

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/interpolate_coords.py

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/monomer.lt

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tools/moltemplate/examples/CG_biomolecules/metaphase_chromatin_Naumova+Imakaev2013/moltemplate_files/table_bonds_stage2.dat

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tools/moltemplate/examples/all_atom_examples/AMBER_force_field_examples/waterTIP3P+isobutane/moltemplate_files/isobutane.lt

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/WARNING.TXT

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README.TXT

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README_run.sh

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README_visualize.txt

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/images/ethylene.jpg

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/ethylene.lt

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/AUTHOR.TXT

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/README.TXT

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/oplsaa_subset.txt

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/system.lt

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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/run.in.npt

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tools/moltemplate/examples/all_atom_examples/waterSPCE+Na+Cl/moltemplate_files/ions.lt

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tools/moltemplate/moltemplate_manual.pdf

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tools/moltemplate/src/docs_useful_scripts/docs_dump2data.txt

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tools/moltemplate/src/dump2data.py

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tools/moltemplate/src/moltemplate.sh

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tools/moltemplate/src/ttree_matrix_stack.py

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