Diffusion lammps a9a06178fab9

Merge branch 'lammps-icms' into lammps-molfile
a9a06178fab9
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 1 2012, 02:05.

Description

Merge branch 'lammps-icms' into lammps-molfile

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jun 1 2012, 02:05

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS216fc89f482e: Merge branch 'lammps-icms' into lammps-molfile
rLAMMPS08536acbd4c7: cleanups.

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSa9a06178fab9: Merge branch 'lammps-icms' into lammps-molfile (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 1 2012, 02:05

Merged Changes

Commit	Author	Details	Committed
08536acbd4c7	Axel Kohlmeyer	cleanups.	Jun 1 2012
0458896c0ab9	Axel Kohlmeyer	proper string constant handling	Jun 1 2012
001229ba62d9	Axel Kohlmeyer	remove unused variables	Jun 1 2012
c6a03521ef0e	Axel Kohlmeyer	cleanup. sync with non-openmp version	Jun 1 2012
dfae7ce41b15	Axel Kohlmeyer	for multiplicity 0 ddf1 may be used unitialized => crash.	Jun 1 2012
8819bb923c92	Axel Kohlmeyer	remove unneeded variable	Jun 1 2012
654b39a84163	Axel Kohlmeyer	fix bug in computing 1-3 repulsion	May 31 2012
d314704ec9ed	Axel Kohlmeyer	fix bug in cosine/shift angle potential energy calculation.	May 31 2012
0c24ab0b5300	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	May 31 2012
ab6e6d4ef1ad	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8197 f3b2605a-c512-4ea7…	May 30 2012
5d8ad6391485	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8196 f3b2605a-c512-4ea7…	May 30 2012
a0f5ea214a22	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8195 f3b2605a-c512-4ea7…	May 30 2012
59fa5d6cd17f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8194 f3b2605a-c512-4ea7…	May 30 2012
b488ec1c8af7	Axel Kohlmeyer	fix typo and copy-n-modify errors	May 29 2012
022c83b95fe2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8192 f3b2605a-c512-4ea7…	May 29 2012
824e0d321c17	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8191 f3b2605a-c512-4ea7…	May 29 2012
b2d26cc0647e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8190 f3b2605a-c512-4ea7…	May 29 2012
6260b9cde4a6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8189 f3b2605a-c512-4ea7…	May 29 2012
b564ebeb41cd	Axel Kohlmeyer	add documentation for newly added /omp styles.	May 28 2012
bf675125470b	Axel Kohlmeyer	add omp versions of newly added improper potentials	May 28 2012
ebb8499f1a5a	Axel Kohlmeyer	update FLD pair styles to the current status.	May 28 2012

Changes (47)

				Path
	M			doc/Manual.txt
	M			doc/Section_commands.txt
	M			doc/improper_cossq.html
	M			doc/improper_cossq.txt
	M			doc/improper_ring.html
	M			doc/improper_ring.txt
	M			src/.gitignore
	M			src/COLLOID/pair_colloid.h
	M			src/KSPACE/pair_lj_charmm_coul_long.cpp
	M			src/MOLECULE/angle_table.cpp
	M			src/MOLECULE/bond_table.cpp
	M			src/MOLECULE/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_harmonic.cpp
	M			src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
	M			src/STUBS/mpi.c
	M			src/USER-CG-CMM/angle_sdk.cpp
	M			src/USER-EWALDN/ewald_n.cpp
	M			src/USER-MISC/angle_cosine_shift.cpp
	M			src/USER-MISC/dihedral_table.cpp
	M			src/USER-OMP/angle_cosine_shift_omp.cpp
	M			src/USER-OMP/angle_dipole_omp.cpp
	M			src/USER-OMP/angle_sdk_omp.cpp
	M			src/USER-OMP/dihedral_charmm_omp.cpp
	M			src/USER-OMP/dihedral_harmonic_omp.cpp
	M			src/USER-OMP/dihedral_table_omp.cpp
	M			src/USER-OMP/fix_omp.cpp
	A			src/USER-OMP/improper_cossq_omp.cpp
	P			src/USER-OMP/improper_cossq_omp.h Copied from src/USER-OMP/improper_cvff_omp.h
	A			src/USER-OMP/improper_ring_omp.cpp
	P			src/USER-OMP/improper_ring_omp.h Copied from src/USER-OMP/improper_cvff_omp.h
	M			src/USER-OMP/pair_brownian_omp.cpp
	M			src/USER-OMP/pair_brownian_poly_omp.cpp
	M			src/USER-OMP/pair_comb_omp.cpp
	M			src/USER-OMP/pair_coul_wolf_omp.cpp
	M			src/USER-OMP/pair_dpd_tstat_omp.cpp
	M			src/USER-OMP/pair_gauss_omp.cpp
	M			src/USER-OMP/pair_lubricate_omp.cpp
	M			src/USER-OMP/pair_lubricate_poly_omp.cpp
	M			src/USER-OMP/pair_yukawa_colloid_omp.cpp
	M			src/error.cpp
	M			src/lattice.h
	M			src/pair.cpp
	M			src/pair.h
	M			src/pair_lj96_cut.cpp
	M			src/pair_table.cpp
	M			src/pair_table.h
	M			src/read_dump.cpp