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Merge branch 'openmp-master' into lammps-icms
221499203559
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jan 1 2012, 01:59.

Description

Merge branch 'openmp-master' into lammps-icms

Resolved Conflicts:
.gitignore
doc/fix_spring_self.txt
lib/atc/Array.h
lib/gpu/.gitignore
src/.gitignore
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.openmpi-omp
src/STUBS/Makefile
src/STUBS/mpi.c
src/STUBS/mpi.h
src/USER-CG-CMM/cg_cmm_parms.h
src/dump.h
src/fix_spring_self.cpp
tools/restart2data.cpp

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Jan 1 2012, 01:59
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPS5d8ef7f42406: add test for existence of package gpu command
rLAMMPS006d63d78a92: Merge branch 'master' into lammps-icms
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS221499203559: Merge branch 'openmp-master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jan 1 2012, 01:59

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
5d8ef7f42406Axel Kohlmeyer
add test for existence of package gpu command 
Dec 27 2011
d0686fbd3fbcAxel Kohlmeyer
terminate all inline function declaration with ';' 
Dec 27 2011
3ad7e97ae867Axel Kohlmeyer
some more optimizations for pppm/omp 
Dec 24 2011
961c524dd65bAxel Kohlmeyer
include jpeg image support 
Dec 24 2011
f128041ea75eAxel Kohlmeyer
undo small PPPM::setup() optimization 
Dec 24 2011
6d290ddf0afdAxel Kohlmeyer
add multi-thread support to PPPMOMP::setup() 
Dec 24 2011
0f4a27ad8babAxel Kohlmeyer
add c++ emacs cookies into all SCM managed headers 
Dec 24 2011
d3355b03dc0eAxel Kohlmeyer
label our modified versions as LAMMPS-ICMS now 
Dec 22 2011
a12d3f98e2b4Axel Kohlmeyer
small optimization for PPPM::setup() 
Dec 22 2011
c428171b86c4Axel Kohlmeyer
Merge branch 'master' into openmp-master 
Dec 22 2011
9b7fbb59bd14Axel Kohlmeyer
fix bug reported by mario orsi 
Dec 20 2011
bd3fc1d6a99aAxel Kohlmeyer
update for new files in user-omp 
Dec 20 2011
d0c092466472Axel Kohlmeyer
add pppm/proxy styles for class2 force field. 
Dec 20 2011
fef0e5069812Axel Kohlmeyer
re-add one more missing file 
Dec 20 2011
00c655547601Axel Kohlmeyer
bugfix for pppm/proxy when using variable cell 
Dec 20 2011
a2b2ab658941Axel Kohlmeyer
bugfixes for change to Pair::extract() 
Dec 18 2011
10627e1a4e5dAxel Kohlmeyer
update GPU install/update scripts 
Dec 18 2011
fe17fe1eb6adAxel Kohlmeyer
re-add lost files 
Dec 18 2011
5acd732f061cAxel Kohlmeyer
Merge branch 'master' into openmp-master 
Dec 18 2011
c26f383996b9Axel Kohlmeyer
Merge branch 'master' into openmp-master 
Dec 15 2011
faeacab3a2f6Axel Kohlmeyer
more files to ignore 
Dec 15 2011
b7d8d13c6236Axel Kohlmeyer
some bugfixes and cleanups for the last commit 
Dec 14 2011
e84e73266326Axel Kohlmeyer
OpenMP support for coul/wolf and born/coul/wolf 
Dec 14 2011
3e5c175a5bb4Axel Kohlmeyer
atc bugfix 
Dec 14 2011
93686ca6ab75Axel Kohlmeyer
Merge branch 'master' into openmp-master 
Dec 14 2011
d2bd36e1ef76Axel Kohlmeyer
bugfix for bugfix 
Dec 14 2011
82536bd3462aAxel Kohlmeyer
fix typo 
Dec 13 2011
8a282d8b8a16Axel Kohlmeyer
updates to restart2data 
Dec 13 2011
6282d92c3b67Axel Kohlmeyer
add tersoff/table support 
Dec 13 2011
ba2a67892addAxel Kohlmeyer
more updates for coul/*, gauss and gauss/cut 
Dec 13 2011
2b57a5a2b6adAxel Kohlmeyer
more tests 
Dec 13 2011
6028bfec7f63Axel Kohlmeyer
need to ignore input file fragments, too. 
Dec 13 2011
06b8c7ad359aAxel Kohlmeyer
add test for lj/sdk and handle input file conversion 
Dec 13 2011
7aa9063e0f7aAxel Kohlmeyer
more scripts for restart test and first references 
Dec 13 2011
0af3a50ca2fbAxel Kohlmeyer
first stab at restart test library 
Dec 13 2011
0b97aa46bd9bAxel Kohlmeyer
more files to ignore 
Dec 12 2011
c252853d30cbAxel Kohlmeyer
import tersoff/zbl bugfix from LAMMPS-ICMS 
Dec 12 2011
3b72d88e350aAxel Kohlmeyer
add fix spring/self enhancement from LAMMPS-ICMS 
Dec 12 2011
d7aab37be45eAxel Kohlmeyer
Merge branch 'master' into openmp-master 
Dec 11 2011
7cb225f64a8bAxel Kohlmeyer
add documentation for FLD /omp styles. 
Dec 10 2011
a1c0b66824c0Axel Kohlmeyer
more files to ignore 
Dec 10 2011
65bcbb90734bAxel Kohlmeyer
correct permissions 
Dec 10 2011
4d9b004a4015Axel Kohlmeyer
update load balancing styles 
Dec 10 2011
092b1c73b243Axel Kohlmeyer
added OpenMP versions of some FLD pair styles 
Dec 10 2011
d08826bb5807Axel Kohlmeyer
convert MPI stubs library to use C bindings 
Dec 9 2011
c97d2cac54ffAxel Kohlmeyer
avoid memory leak when turning load balancing off 
Dec 9 2011
77d1c7cd36beAxel Kohlmeyer
add documentation for load balancing 
Dec 9 2011
7b3a54ed86aeAxel Kohlmeyer
cleanup and simplification of load balancing support 
Dec 9 2011
18fca0812b1eAxel Kohlmeyer
make verlet/split compatible with new timer class 
Dec 9 2011
333d86f4dda6Axel Kohlmeyer
and another conflict issue fixed 
Dec 9 2011

Changes (843)
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This commit is very large. Load each file individually.
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M.gitignore
Mdoc/Section_commands.txt
Mdoc/compute_temp_asphere.txt
Mdoc/compute_temp_sphere.txt
Mdoc/fix_bond_break.txt
Mdoc/fix_bond_create.txt
Mdoc/fix_bond_swap.txt
Mdoc/fix_nph_asphere.txt
Mdoc/fix_nph_sphere.txt
Mdoc/fix_npt_asphere.txt
Mdoc/fix_npt_sphere.txt
Mdoc/fix_nve_asphere.txt
Mdoc/fix_nve_sphere.txt
Mdoc/fix_nvt_asphere.txt
Mdoc/fix_nvt_sphere.txt
Mdoc/fix_qeq_reax.txt
Mdoc/fix_spring_self.txt
Adoc/loadbalance.txt
Mdoc/min_style.txt
Mdoc/pair_brownian.txt
Mdoc/pair_dipole.txt
Mdoc/pair_gayberne.txt
Mdoc/pair_lubricate.txt
Mdoc/pair_resquared.txt
Mdoc/processors.txt
Mlib/atc/Array.h
Mlib/gpu/.gitignore
Alib/gpu/Makefile.fermi_opencl
Mlib/gpu/Makefile.lammps
Mlib/gpu/lal_ellipsoid_extra.h
Mlib/gpu/lal_preprocessor.h
Mlib/meam/Makefile.lammps
A(dir)regtest/data/
Aregtest/data/data.angle-01
Aregtest/data/data.angle-02
Aregtest/data/data.atomic-01
Aregtest/data/data.atomic-02
Aregtest/data/data.bond-01
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Aregtest/data/data.molecular-01
Aregtest/data/data.molecular-02
A(dir)regtest/pair/
Aregtest/pair/.gitignore
Aregtest/pair/clean.sh
Aregtest/pair/common-1.inc
Aregtest/pair/compare.sh
Aregtest/pair/in.charged
Aregtest/pair/in.overlay
Aregtest/pair/in.simple
Aregtest/pair/lj_cut-01.inc
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Aregtest/pair/runtests.sh
Aregtest/pair/updateref.sh
A(dir)regtest/restart/
Aregtest/restart/.gitignore
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Aregtest/restart/coul_cut.inc
Aregtest/restart/coul_debye.inc
Aregtest/restart/coul_diel.inc
Aregtest/restart/coul_long.inc
Aregtest/restart/gauss.inc
Aregtest/restart/gauss_cut.inc
Aregtest/restart/in.restart2data
Aregtest/restart/lj_cut.inc
Aregtest/restart/lj_sdk.inc
Aregtest/restart/nosfx.inc
Aregtest/restart/omp.inc
Aregtest/restart/opt.inc
A(dir)regtest/restart/refoutput/
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Aregtest/restart/refoutput/tersoff_table.ref-opt-02
Aregtest/restart/runtests.sh
Aregtest/restart/tersoff.inc
Aregtest/restart/tersoff_table.inc
Aregtest/restart/updateref.sh
A(dir)regtest/setup/
Aregtest/setup/in.empty
Msrc/.gitignore
Msrc/ASPHERE/compute_erotate_asphere.h
Msrc/ASPHERE/compute_temp_asphere.h
Msrc/ASPHERE/fix_nh_asphere.h
Msrc/ASPHERE/fix_nph_asphere.h
Msrc/ASPHERE/fix_npt_asphere.h
Msrc/ASPHERE/fix_nve_asphere.h
Msrc/ASPHERE/fix_nve_asphere_noforce.h
Msrc/ASPHERE/fix_nve_line.h
Msrc/ASPHERE/fix_nve_tri.h
Msrc/ASPHERE/fix_nvt_asphere.h
Msrc/ASPHERE/pair_gayberne.h
Msrc/ASPHERE/pair_line_lj.h
Msrc/ASPHERE/pair_resquared.h
Msrc/ASPHERE/pair_tri_lj.h
Msrc/CLASS2/angle_class2.h
Msrc/CLASS2/bond_class2.h
Msrc/CLASS2/dihedral_class2.h
Msrc/CLASS2/improper_class2.h
Msrc/CLASS2/pair_lj_class2.h
Msrc/CLASS2/pair_lj_class2_coul_cut.h
Msrc/CLASS2/pair_lj_class2_coul_long.h
Msrc/COLLOID/fix_wall_colloid.h
Msrc/COLLOID/pair_colloid.h
Msrc/COLLOID/pair_yukawa_colloid.h
Msrc/DIPOLE/atom_vec_dipole.h
Msrc/DIPOLE/pair_dipole_cut.h
Msrc/FLD/pair_brownian.cpp
Msrc/FLD/pair_brownian.h
Msrc/FLD/pair_brownian_poly.h
Msrc/FLD/pair_lubricate.cpp
Msrc/FLD/pair_lubricate.h
Msrc/FLD/pair_lubricateU.h
Msrc/FLD/pair_lubricateU_poly.h
Msrc/FLD/pair_lubricate_poly.h
Msrc/GPU/Install.sh
Msrc/GPU/Package.sh
Msrc/GPU/fix_gpu.cpp
Msrc/GPU/fix_gpu.h
Msrc/GPU/gpu_extra.h
Msrc/GPU/pair_coul_long_gpu.cpp
Msrc/GPU/pair_coul_long_gpu.h
Msrc/GPU/pair_gayberne_gpu.cpp
Msrc/GPU/pair_gayberne_gpu.h
Msrc/GPU/pair_lj96_cut_gpu.cpp
Msrc/GPU/pair_lj96_cut_gpu.h
Msrc/GPU/pair_lj_charmm_coul_long_gpu.cpp
Msrc/GPU/pair_lj_charmm_coul_long_gpu.h
Msrc/GPU/pair_lj_class2_coul_long_gpu.cpp
Msrc/GPU/pair_lj_class2_coul_long_gpu.h
Msrc/GPU/pair_lj_class2_gpu.cpp
Msrc/GPU/pair_lj_class2_gpu.h
Msrc/GPU/pair_lj_cut_coul_cut_gpu.cpp
Msrc/GPU/pair_lj_cut_coul_cut_gpu.h
Msrc/GPU/pair_lj_cut_coul_long_gpu.cpp
Msrc/GPU/pair_lj_cut_coul_long_gpu.h
Msrc/GPU/pair_lj_cut_gpu.cpp
Psrc/GPU/pair_lj_cut_gpu.h
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Psrc/GPU/pair_lj_expand_gpu.cpp
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Msrc/GPU/pair_lj_expand_gpu.h
Asrc/GPU/pair_lj_sdk_coul_long_gpu.cpp
Psrc/GPU/pair_lj_sdk_coul_long_gpu.h
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Psrc/GPU/pair_lj_sdk_gpu.cpp
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Psrc/GPU/pair_lj_sdk_gpu.h
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Msrc/GPU/pair_morse_gpu.cpp
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Msrc/GPU/pair_resquared_gpu.cpp
Msrc/GPU/pair_resquared_gpu.h
Msrc/GPU/pppm_gpu.cpp
Msrc/GPU/pppm_gpu.h
Msrc/GRANULAR/fix_freeze.h
Msrc/GRANULAR/fix_pour.h
Msrc/GRANULAR/fix_wall_gran.h
Msrc/GRANULAR/pair_gran_hertz_history.h
Msrc/GRANULAR/pair_gran_hooke.h
Msrc/GRANULAR/pair_gran_hooke_history.h
Msrc/KSPACE/ewald.h
Msrc/KSPACE/pair_born_coul_long.h
Msrc/KSPACE/pair_buck_coul_long.h
Msrc/KSPACE/pair_coul_long.h
Msrc/KSPACE/pair_lj_charmm_coul_long.h
Msrc/KSPACE/pair_lj_cut_coul_long.h
Msrc/KSPACE/pair_lj_cut_coul_long_tip4p.h
Msrc/KSPACE/pppm.cpp
Msrc/KSPACE/pppm.h
Msrc/KSPACE/pppm_cg.h
Msrc/KSPACE/pppm_tip4p.h
Psrc/MAKE/Makefile.openmpi
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src/MAKE/Makefile.openmpi-intel
src/MAKE/Makefile.openmpi-omp-intel
src/MAKE/Makefile.openmpi-omp-profile
src/MAKE/Makefile.openmpi-profile
src/MAKE/Makefile.serial-omp
src/MAKE/Makefile.serial-opt
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Msrc/MANYBODY/fix_qeq_comb.h
Msrc/MANYBODY/pair_adp.h
Msrc/MANYBODY/pair_airebo.h
Msrc/MANYBODY/pair_comb.h
Msrc/MANYBODY/pair_eam.h
Msrc/MANYBODY/pair_eam_alloy.h
Msrc/MANYBODY/pair_eam_fs.h
Msrc/MANYBODY/pair_eim.h
Msrc/MANYBODY/pair_rebo.h
Msrc/MANYBODY/pair_sw.h
Msrc/MANYBODY/pair_tersoff.h
Msrc/MANYBODY/pair_tersoff_zbl.h
Msrc/MC/fix_bond_break.h
Msrc/MC/fix_bond_create.h
Msrc/MC/fix_bond_swap.h
Msrc/MC/fix_gcmc.h
Msrc/MC/pair_dsmc.h
Msrc/MEAM/pair_meam.h
Msrc/MOLECULE/angle_charmm.h
Msrc/MOLECULE/angle_cosine.h
Msrc/MOLECULE/angle_cosine_delta.h
Msrc/MOLECULE/angle_cosine_periodic.h
Msrc/MOLECULE/angle_cosine_squared.h
Msrc/MOLECULE/angle_harmonic.h
Msrc/MOLECULE/angle_hybrid.h
Msrc/MOLECULE/angle_table.h
Msrc/MOLECULE/atom_vec_angle.h
Msrc/MOLECULE/atom_vec_bond.h
Msrc/MOLECULE/atom_vec_full.h
Msrc/MOLECULE/atom_vec_molecular.h
Msrc/MOLECULE/bond_fene.h
Msrc/MOLECULE/bond_fene_expand.h
Msrc/MOLECULE/bond_harmonic.h
Msrc/MOLECULE/bond_morse.h
Msrc/MOLECULE/bond_nonlinear.h
Msrc/MOLECULE/bond_quartic.h
Msrc/MOLECULE/bond_table.h
Msrc/MOLECULE/dihedral_charmm.h
Msrc/MOLECULE/dihedral_harmonic.h
Msrc/MOLECULE/dihedral_helix.h
Msrc/MOLECULE/dihedral_hybrid.h
Msrc/MOLECULE/dihedral_multi_harmonic.h
Msrc/MOLECULE/dihedral_opls.h
Msrc/MOLECULE/improper_cvff.h
Msrc/MOLECULE/improper_harmonic.h
Msrc/MOLECULE/improper_hybrid.h
Msrc/MOLECULE/improper_umbrella.h
Msrc/MOLECULE/pair_hbond_dreiding_lj.h
Msrc/MOLECULE/pair_hbond_dreiding_morse.h
Msrc/MOLECULE/pair_lj_charmm_coul_charmm.h
Msrc/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h
Msrc/Make.sh
Msrc/OPT/pair_eam_alloy_opt.h
Msrc/OPT/pair_eam_fs_opt.h
Msrc/OPT/pair_eam_opt.h
Msrc/OPT/pair_lj_charmm_coul_long_opt.h
Msrc/OPT/pair_lj_cut_coul_long_opt.h
Msrc/OPT/pair_lj_cut_opt.h
Msrc/OPT/pair_morse_opt.h
Msrc/PERI/atom_vec_peri.h
Msrc/PERI/compute_damage_atom.h
Msrc/PERI/fix_peri_neigh.h
Msrc/PERI/pair_peri_lps.h
Msrc/PERI/pair_peri_pmb.h
Msrc/POEMS/fix_poems.h
Msrc/REAX/fix_reax_bonds.h
Msrc/REAX/pair_reax.h
Msrc/REAX/pair_reax_fortran.h
Msrc/REPLICA/compute_event_displace.h
Msrc/REPLICA/fix_event.h
Msrc/REPLICA/fix_event_prd.h
Msrc/REPLICA/fix_event_tad.h
Msrc/REPLICA/fix_neb.h
Msrc/REPLICA/neb.cpp
Msrc/REPLICA/neb.h
Msrc/REPLICA/prd.cpp
Msrc/REPLICA/prd.h
Msrc/REPLICA/tad.cpp
Msrc/REPLICA/tad.h
Msrc/REPLICA/temper.cpp
Msrc/REPLICA/temper.h
Msrc/REPLICA/verlet_split.cpp
Msrc/REPLICA/verlet_split.h
Msrc/SHOCK/fix_append_atoms.h
Msrc/SHOCK/fix_msst.h
Msrc/SHOCK/fix_nphug.h
Msrc/SHOCK/fix_wall_piston.h
Msrc/SRD/fix_srd.h
Msrc/SRD/fix_wall_srd.h
Msrc/STUBS/Makefile
Msrc/STUBS/mpi.c
Msrc/STUBS/mpi.h
Msrc/USER-ATC/fix_atc.h
Msrc/USER-AWPMD/atom_vec_wavepacket.h
Msrc/USER-AWPMD/fix_nve_awpmd.h
Msrc/USER-AWPMD/pair_awpmd_cut.h
Msrc/USER-CG-CMM/cg_cmm_parms.h
Msrc/USER-CG-CMM/pair_cg_cmm.h
Msrc/USER-CG-CMM/pair_cg_cmm_coul_cut.h
Msrc/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
Msrc/USER-CG-CMM/pair_cg_cmm_coul_long.h
Msrc/USER-CG-CMM/pair_lj_sdk.cpp
Msrc/USER-CG-CMM/pair_lj_sdk.h
Msrc/USER-CG-CMM/pair_lj_sdk_coul_long.cpp
Msrc/USER-CG-CMM/pair_lj_sdk_coul_long.h
Msrc/USER-CUDA/atom_vec_angle_cuda.h
Msrc/USER-CUDA/atom_vec_atomic_cuda.h
Msrc/USER-CUDA/atom_vec_charge_cuda.h
Msrc/USER-CUDA/atom_vec_full_cuda.h
Msrc/USER-CUDA/comm_cuda.h
Msrc/USER-CUDA/compute_pe_cuda.h
Msrc/USER-CUDA/compute_pressure_cuda.h
Msrc/USER-CUDA/compute_temp_cuda.h
Msrc/USER-CUDA/compute_temp_partial_cuda.h
Msrc/USER-CUDA/cuda.h
Msrc/USER-CUDA/cuda_data.h
Msrc/USER-CUDA/cuda_modify_flags.h
Msrc/USER-CUDA/cuda_neigh_list.h
Msrc/USER-CUDA/domain_cuda.h
Msrc/USER-CUDA/fft3d_cuda.h
Msrc/USER-CUDA/fft3d_wrap_cuda.h
Msrc/USER-CUDA/fix_addforce_cuda.h
Msrc/USER-CUDA/fix_aveforce_cuda.h
Msrc/USER-CUDA/fix_enforce2d_cuda.h
Msrc/USER-CUDA/fix_freeze_cuda.h
Msrc/USER-CUDA/fix_gravity_cuda.h
Msrc/USER-CUDA/fix_nh_cuda.h
Msrc/USER-CUDA/fix_npt_cuda.h
Msrc/USER-CUDA/fix_nve_cuda.h
Msrc/USER-CUDA/fix_nvt_cuda.h
Msrc/USER-CUDA/fix_set_force_cuda.h
Msrc/USER-CUDA/fix_shake_cuda.h
Msrc/USER-CUDA/fix_temp_berendsen_cuda.h
Msrc/USER-CUDA/fix_temp_rescale_cuda.h
Msrc/USER-CUDA/fix_temp_rescale_limit_cuda.h
Msrc/USER-CUDA/fix_viscous_cuda.h
Msrc/USER-CUDA/modify_cuda.h
Msrc/USER-CUDA/neighbor_cuda.h
Msrc/USER-CUDA/pair_born_coul_long_cuda.h
Msrc/USER-CUDA/pair_buck_coul_cut_cuda.h
Msrc/USER-CUDA/pair_buck_coul_long_cuda.h
Msrc/USER-CUDA/pair_buck_cuda.h
Msrc/USER-CUDA/pair_cg_cmm_coul_cut_cuda.h
Msrc/USER-CUDA/pair_cg_cmm_coul_debye_cuda.h
Msrc/USER-CUDA/pair_cg_cmm_coul_long_cuda.h
Msrc/USER-CUDA/pair_cg_cmm_cuda.h
Msrc/USER-CUDA/pair_eam_alloy_cuda.h
Msrc/USER-CUDA/pair_eam_cuda.h
Msrc/USER-CUDA/pair_eam_fs_cuda.h
Msrc/USER-CUDA/pair_gran_hooke_cuda.h
Msrc/USER-CUDA/pair_lj96_cut_cuda.h
Msrc/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h
Msrc/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h
Msrc/USER-CUDA/pair_lj_charmm_coul_long_cuda.h
Msrc/USER-CUDA/pair_lj_class2_coul_cut_cuda.h
Msrc/USER-CUDA/pair_lj_class2_coul_long_cuda.h
Msrc/USER-CUDA/pair_lj_class2_cuda.h
Msrc/USER-CUDA/pair_lj_cut_coul_cut_cuda.h
Msrc/USER-CUDA/pair_lj_cut_coul_debye_cuda.h
Msrc/USER-CUDA/pair_lj_cut_coul_long_cuda.h
Msrc/USER-CUDA/pair_lj_cut_cuda.h
Msrc/USER-CUDA/pair_lj_cut_experimental_cuda.h
Msrc/USER-CUDA/pair_lj_expand_cuda.h
Msrc/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h
Msrc/USER-CUDA/pair_lj_gromacs_cuda.h
Msrc/USER-CUDA/pair_lj_smooth_cuda.h
Msrc/USER-CUDA/pair_morse_cuda.h
Msrc/USER-CUDA/pair_sw_cuda.h
Msrc/USER-CUDA/pair_tersoff_cuda.h
Msrc/USER-CUDA/pair_tersoff_zbl_cuda.h
Msrc/USER-CUDA/pppm_cuda.h
Msrc/USER-CUDA/verlet_cuda.cpp
Msrc/USER-CUDA/verlet_cuda.h
Msrc/USER-EFF/atom_vec_electron.h
Msrc/USER-EFF/compute_ke_atom_eff.h
Msrc/USER-EFF/compute_ke_eff.h
Msrc/USER-EFF/compute_temp_deform_eff.h
Msrc/USER-EFF/compute_temp_eff.h
Msrc/USER-EFF/compute_temp_region_eff.h
Msrc/USER-EFF/fix_langevin_eff.h
Msrc/USER-EFF/fix_nh_eff.h
Msrc/USER-EFF/fix_nph_eff.h
Msrc/USER-EFF/fix_npt_eff.h
Msrc/USER-EFF/fix_nve_eff.h
Msrc/USER-EFF/fix_nvt_eff.h
Msrc/USER-EFF/fix_nvt_sllod_eff.h
Msrc/USER-EFF/fix_temp_rescale_eff.h
Msrc/USER-EFF/pair_eff_cut.h
Msrc/USER-EFF/pair_eff_inline.h
Msrc/USER-EWALDN/ewald_n.h
Msrc/USER-EWALDN/math_complex.h
Msrc/USER-EWALDN/math_vector.h
Msrc/USER-EWALDN/pair_buck_coul.cpp
Msrc/USER-EWALDN/pair_buck_coul.h
Msrc/USER-EWALDN/pair_lj_coul.cpp
Msrc/USER-EWALDN/pair_lj_coul.h
Msrc/USER-MISC/angle_cosine_shift.h
Msrc/USER-MISC/angle_cosine_shift_exp.h
Msrc/USER-MISC/bond_harmonic_shift.h
Msrc/USER-MISC/bond_harmonic_shift_cut.h
Msrc/USER-MISC/compute_ackland_atom.h
Msrc/USER-MISC/compute_temp_rotate.h
Msrc/USER-MISC/dihedral_cosine_shift_exp.h
Msrc/USER-MISC/fix_addtorque.h
Msrc/USER-MISC/fix_smd.h
Msrc/USER-MISC/pair_cdeam.h
Msrc/USER-MISC/pair_dipole_sf.h
Msrc/USER-MISC/pair_edip.cpp
Msrc/USER-MISC/pair_edip.h
Msrc/USER-MISC/pair_lj_sf.h
Msrc/USER-MISC/pair_tersoff_table.h
Psrc/USER-OMP/dihedral_class2_omp.h
Copied to multiple locations:
src/USER-OMP/pair_brownian_omp.h
src/USER-OMP/pair_brownian_poly_omp.h
src/USER-OMP/pair_lj_class2_coul_pppm_omp.h
src/USER-OMP/pair_lubricate_poly_omp.h
Msrc/USER-OMP/dihedral_cosine_shift_exp_omp.h
Msrc/USER-OMP/dihedral_helix_omp.h
Msrc/USER-OMP/dihedral_multi_harmonic_omp.h
Psrc/USER-OMP/dihedral_opls_omp.h
Copied to multiple locations:
src/USER-OMP/pair_born_coul_wolf_omp.h
src/USER-OMP/pair_coul_wolf_omp.h
src/USER-OMP/pair_lubricate_omp.h
Msrc/USER-OMP/fix_gravity_omp.h
Msrc/USER-OMP/fix_nve_sphere_omp.h
Msrc/USER-OMP/fix_peri_neigh_omp.h
Msrc/USER-OMP/fix_shear_history_omp.h
Msrc/USER-OMP/neighbor_omp.h
Psrc/USER-OMP/pair_born_coul_long_omp.cpp
Copied to src/USER-OMP/pair_born_coul_wolf_omp.cpp
Psrc/USER-OMP/pair_born_coul_wolf_omp.cpp
Copied from src/USER-OMP/pair_born_coul_long_omp.cpp
Psrc/USER-OMP/pair_born_coul_wolf_omp.h
Copied from src/USER-OMP/dihedral_opls_omp.h
Asrc/USER-OMP/pair_brownian_omp.cpp
Psrc/USER-OMP/pair_brownian_omp.h
Copied from src/USER-OMP/dihedral_class2_omp.h
Asrc/USER-OMP/pair_brownian_poly_omp.cpp
Psrc/USER-OMP/pair_brownian_poly_omp.h
Copied from src/USER-OMP/dihedral_class2_omp.h
Psrc/USER-OMP/pair_buck_coul_cut_omp.cpp
Copied to src/USER-OMP/pair_coul_wolf_omp.cpp
Msrc/USER-OMP/pair_buck_coul_long_omp.cpp
Psrc/USER-OMP/pair_coul_wolf_omp.cpp
Copied from src/USER-OMP/pair_buck_coul_cut_omp.cpp
Psrc/USER-OMP/pair_coul_wolf_omp.h
Copied from src/USER-OMP/dihedral_opls_omp.h
Msrc/USER-OMP/pair_dipole_cut_omp.cpp
Msrc/USER-OMP/pair_dipole_sf_omp.cpp
Msrc/USER-OMP/pair_eam_alloy_omp.h
Msrc/USER-OMP/pair_eam_fs_omp.h
Msrc/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp
Psrc/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp
Copied from src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp
Psrc/USER-OMP/pair_lj_class2_coul_pppm_omp.h
Copied from src/USER-OMP/dihedral_class2_omp.h
Psrc/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp
Copied to src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp
Msrc/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp
Asrc/USER-OMP/pair_lubricate_omp.cpp
Psrc/USER-OMP/pair_lubricate_omp.h
Copied from src/USER-OMP/dihedral_opls_omp.h
Asrc/USER-OMP/pair_lubricate_poly_omp.cpp
Psrc/USER-OMP/pair_lubricate_poly_omp.h
Copied from src/USER-OMP/dihedral_class2_omp.h
Msrc/USER-OMP/pair_rebo_omp.h
Msrc/USER-OMP/pppm_omp.cpp
Msrc/USER-OMP/pppm_omp.h
Msrc/USER-OMP/pppm_proxy.cpp
Msrc/USER-OMP/pppm_proxy.h
Msrc/USER-OMP/pppm_tip4p_proxy.cpp
Msrc/USER-OMP/pppm_tip4p_proxy.h
Msrc/USER-REAXC/fix_qeq_reax.h
Msrc/USER-REAXC/fix_reax_c.h
Msrc/USER-REAXC/pair_reax_c.cpp
Msrc/USER-REAXC/pair_reax_c.h
Msrc/USER-SPH/atom_vec_meso.h
Msrc/USER-SPH/compute_meso_e_atom.h
Msrc/USER-SPH/compute_meso_rho_atom.h
Msrc/USER-SPH/compute_meso_t_atom.h
Msrc/USER-SPH/fix_meso.h
Msrc/USER-SPH/fix_meso_stationary.h
Msrc/USER-SPH/pair_sph_heatconduction.h
Msrc/USER-SPH/pair_sph_idealgas.h
Msrc/USER-SPH/pair_sph_lj.h
Msrc/USER-SPH/pair_sph_rhosum.h
Msrc/USER-SPH/pair_sph_taitwater.h
Msrc/USER-SPH/pair_sph_taitwater_morris.h
Msrc/XTC/dump_xtc.h
Msrc/accelerator_cuda.h
Msrc/accelerator_omp.h
Msrc/angle.h
Msrc/atom.h
Msrc/atom_vec.h
Msrc/atom_vec_atomic.h
Msrc/atom_vec_charge.h
Msrc/atom_vec_ellipsoid.cpp
Msrc/atom_vec_ellipsoid.h
Msrc/atom_vec_hybrid.h
Msrc/atom_vec_line.h
Msrc/atom_vec_sphere.h
Msrc/atom_vec_tri.h
Msrc/bond.h
Msrc/bond_hybrid.h
Msrc/change_box.h
Msrc/comm.h
Msrc/compute.h
Msrc/compute_angle_local.h
Msrc/compute_atom_molecule.h
Msrc/compute_bond_local.h
Msrc/compute_centro_atom.h
Msrc/compute_cluster_atom.h
Msrc/compute_cna_atom.h
Msrc/compute_com.h
Msrc/compute_com_molecule.h
Msrc/compute_coord_atom.h
Msrc/compute_dihedral_local.h
Msrc/compute_displace_atom.h
Msrc/compute_erotate_sphere.h
Msrc/compute_group_group.h
Msrc/compute_gyration.h
Msrc/compute_gyration_molecule.h
Msrc/compute_heat_flux.h
Msrc/compute_improper_local.h
Msrc/compute_ke.h
Msrc/compute_ke_atom.h
Msrc/compute_msd.h
Msrc/compute_msd_molecule.h
Msrc/compute_pair.h
Msrc/compute_pair_local.h
Msrc/compute_pe.h
Msrc/compute_pe_atom.h
Msrc/compute_pressure.h
Msrc/compute_property_atom.h
Msrc/compute_property_local.h
Msrc/compute_property_molecule.h
Msrc/compute_rdf.h
Msrc/compute_reduce.h
Msrc/compute_reduce_region.h
Msrc/compute_slice.h
Msrc/compute_stress_atom.h
Msrc/compute_temp.h
Msrc/compute_temp_com.h
Msrc/compute_temp_deform.h
Msrc/compute_temp_partial.h
Msrc/compute_temp_profile.h
Msrc/compute_temp_ramp.h
Msrc/compute_temp_region.h
Msrc/compute_temp_sphere.h
Msrc/compute_ti.h
Msrc/create_atoms.h
Msrc/create_box.h
Msrc/delete_atoms.h
Msrc/delete_bonds.h
Msrc/dihedral.h
Msrc/displace_atoms.h
Msrc/displace_box.h
Msrc/domain.cpp
Msrc/domain.h
Msrc/dump.h
Msrc/dump_atom.h
Msrc/dump_cfg.h
Msrc/dump_custom.h
Msrc/dump_dcd.h
Msrc/dump_image.h
Msrc/dump_local.h
Msrc/dump_xyz.h
Msrc/error.h
Msrc/finish.cpp
Msrc/finish.h
Msrc/fix.h
Msrc/fix_adapt.h
Msrc/fix_addforce.h
Msrc/fix_ave_atom.h
Msrc/fix_ave_correlate.h
Msrc/fix_ave_histo.h
Msrc/fix_ave_spatial.h
Msrc/fix_ave_time.h
Msrc/fix_aveforce.h
Msrc/fix_box_relax.h
Msrc/fix_deform.h
Msrc/fix_deposit.h
Msrc/fix_drag.h
Msrc/fix_dt_reset.h
Msrc/fix_efield.h
Msrc/fix_enforce2d.h
Msrc/fix_evaporate.h
Msrc/fix_external.h
Msrc/fix_gravity.h
Msrc/fix_heat.h
Msrc/fix_indent.h
Msrc/fix_langevin.h
Msrc/fix_lineforce.h
Msrc/fix_minimize.h
Msrc/fix_momentum.h
Msrc/fix_move.h
Msrc/fix_nh.h
Msrc/fix_nh_sphere.h
Msrc/fix_nph.h
Msrc/fix_nph_sphere.h
Msrc/fix_npt.h
Msrc/fix_npt_sphere.h
Msrc/fix_nve.h
Msrc/fix_nve_limit.h
Msrc/fix_nve_noforce.h
Msrc/fix_nve_sphere.h
Msrc/fix_nvt.h
Msrc/fix_nvt_sllod.h
Msrc/fix_nvt_sphere.h
Msrc/fix_orient_fcc.h
Msrc/fix_planeforce.h
Msrc/fix_press_berendsen.h
Msrc/fix_print.h
Msrc/fix_read_restart.h
Msrc/fix_recenter.h
Msrc/fix_respa.h
Msrc/fix_restrain.h
Msrc/fix_rigid.h
Msrc/fix_rigid_nve.h
Msrc/fix_rigid_nvt.h
Msrc/fix_setforce.h
Msrc/fix_shake.h
Msrc/fix_shear_history.h
Msrc/fix_spring.h
Msrc/fix_spring_rg.h
Msrc/fix_spring_self.cpp
Msrc/fix_spring_self.h
Msrc/fix_store_force.h
Msrc/fix_store_state.h
Msrc/fix_temp_berendsen.h
Msrc/fix_temp_rescale.h
Msrc/fix_thermal_conductivity.h
Msrc/fix_tmd.h
Msrc/fix_ttm.h
Msrc/fix_viscosity.h
Msrc/fix_viscous.h
Msrc/fix_wall.h
Msrc/fix_wall_harmonic.h
Msrc/fix_wall_lj126.h
Msrc/fix_wall_lj93.h
Msrc/fix_wall_reflect.h
Msrc/fix_wall_region.h
Msrc/force.h
Msrc/group.h
Msrc/improper.h
Msrc/input.h
Msrc/integrate.h
Msrc/irregular.h
Msrc/kspace.h
Msrc/lammps.h
Msrc/lattice.h
Asrc/lbalance.h
Asrc/lbalance_simple.cpp
Asrc/lbalance_simple.h
Msrc/library.h
Msrc/lmptype.h
Asrc/loadbalance.cpp
Asrc/loadbalance.h
Msrc/main.cpp
Msrc/math_const.h
Msrc/math_extra.h
Msrc/memory.h
Msrc/min.cpp
Msrc/min.h
Msrc/min_cg.cpp
Msrc/min_cg.h
Msrc/min_fire.cpp
Msrc/min_fire.h
Msrc/min_hftn.cpp
Msrc/min_hftn.h
Msrc/min_linesearch.h
Msrc/min_quickmin.cpp
Msrc/min_quickmin.h
Msrc/min_sd.cpp
Msrc/min_sd.h
Msrc/minimize.cpp
Msrc/minimize.h
Msrc/modify.h
Msrc/neigh_bond.h
Msrc/neigh_derive.h
Msrc/neigh_full.h
Msrc/neigh_gran.h
Msrc/neigh_half_bin.h
Msrc/neigh_half_multi.h
Msrc/neigh_half_nsq.h
Msrc/neigh_list.h
Msrc/neigh_request.h
Msrc/neigh_respa.h
Msrc/output.h
Msrc/pair.h
Msrc/pair_born.h
Msrc/pair_born_coul_wolf.cpp
Msrc/pair_born_coul_wolf.h
Msrc/pair_buck.h
Msrc/pair_buck_coul_cut.h
Msrc/pair_coul_cut.h
Msrc/pair_coul_debye.h
Msrc/pair_coul_wolf.cpp
Msrc/pair_coul_wolf.h
Msrc/pair_dpd.h
Msrc/pair_dpd_tstat.h
Msrc/pair_gauss.h
Msrc/pair_hybrid.cpp
Msrc/pair_hybrid.h
Msrc/pair_hybrid_overlay.h
Msrc/pair_lj96_cut.h
Msrc/pair_lj_cubic.h
Msrc/pair_lj_cut.h
Msrc/pair_lj_cut_coul_cut.h
Msrc/pair_lj_cut_coul_debye.h
Msrc/pair_lj_expand.h
Msrc/pair_lj_gromacs.h
Msrc/pair_lj_gromacs_coul_gromacs.h
Msrc/pair_lj_smooth.h
Msrc/pair_morse.h
Msrc/pair_soft.h
Msrc/pair_table.h
Msrc/pair_yukawa.h
Msrc/pointers.h
Msrc/procmap.h
Msrc/random_mars.h
Msrc/random_park.h
Msrc/read_data.cpp
Msrc/read_data.h
Msrc/read_restart.h
Msrc/region.h
Msrc/region_block.h
Msrc/region_cone.h
Msrc/region_cylinder.h
Msrc/region_intersect.h
Msrc/region_plane.h
Msrc/region_prism.h
Msrc/region_sphere.h
Msrc/region_union.h
Msrc/replicate.h
Msrc/respa.cpp
Msrc/respa.h
Msrc/run.cpp
Msrc/run.h
Msrc/set.h
Msrc/special.h
Msrc/thermo.cpp
Msrc/thermo.h
Msrc/timer.cpp
Msrc/timer.h
Msrc/universe.h
Msrc/update.h
Msrc/variable.h
Msrc/velocity.h
Msrc/verlet.cpp
Msrc/verlet.h
Msrc/write_restart.h
Atools/hack_openmp_for_pgi.sh
Mtools/restart2data.cpp
A(dir)tools/valgrind/
Atools/valgrind/gcc-openmp-4.4.4-x86_64.supp
Atools/valgrind/openmpi-1.4.1-fc12.x86_64.supp
Atools/valgrind/parse_valgrind_suppressions.sh

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src/USER-CG-CMM/pair_cg_cmm.h

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src/USER-CG-CMM/pair_cg_cmm_coul_cut.h

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src/USER-OMP/pair_born_coul_long_omp.cpp

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src/USER-OMP/pair_born_coul_wolf_omp.h

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src/USER-OMP/pair_brownian_omp.cpp

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src/USER-OMP/pair_buck_coul_cut_omp.cpp

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src/USER-OMP/pair_dipole_cut_omp.cpp

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src/USER-OMP/pair_eam_alloy_omp.h

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src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp

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src/USER-OMP/pair_rebo_omp.h

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src/USER-REAXC/fix_reax_c.h

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src/USER-SPH/atom_vec_meso.h

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tools/hack_openmp_for_pgi.sh

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tools/valgrind/openmpi-1.4.1-fc12.x86_64.supp

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tools/valgrind/parse_valgrind_suppressions.sh

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