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ece556b4631557da2df1101147f8fa3ce0143b84
lammps/src
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Axel Kohlmeyer ece556b463 Merge branch 'master' into refactor-reaxff-parser 
# Conflicts:
#	src/OPENMP/reaxc_init_md_omp.cpp
#	src/REAXFF/reaxc_allocate.cpp
#	src/REAXFF/reaxc_control.cpp
#	src/REAXFF/reaxc_defs.h
#	src/REAXFF/reaxc_ffield.cpp
#	src/REAXFF/reaxc_init_md.cpp
#	src/REAXFF/reaxc_io_tools.cpp
#	src/REAXFF/reaxc_list.cpp
#	src/REAXFF/reaxc_traj.cpp
2021-07-14 14:34:25 -04:00
..
ADIOS
bulk rename of remaining USER- packages
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ASPHERE
update URLs in source code and manual
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ATC
bulk rename of remaining USER- packages
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AWPMD
bulk rename of remaining USER- packages
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BOCS
bulk rename of remaining USER- packages
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BODY
update URLs in source code and manual
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BROWNIAN
bulk rename of remaining USER- packages
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CG-DNA
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
2021-06-29 15:28:27 -04:00
CG-SDK
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
2021-06-29 15:28:27 -04:00
CLASS2
update URLs in source code and manual
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COLLOID
update URLs in source code and manual
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COLVARS
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
COMPRESS
we require at least zstd API version 1.4
2021-07-06 13:39:07 -04:00
CORESHELL
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
DEPEND
add clang-format support for fastdep tool
2021-05-05 23:46:26 -04:00
DIELECTRIC
Merge pull request #2824 from ndtrung81/dielectric-updates
2021-07-06 20:58:23 -04:00
DIFFRACTION
bulk rename of remaining USER- packages
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DIPOLE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
DPD-BASIC
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
2021-07-01 00:51:55 -04:00
DPD-MESO
rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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DPD-REACT
rename some examples folders
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DPD-SMOOTH
rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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DRUDE
bulk rename of remaining USER- packages
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EFF
bulk rename of remaining USER- packages
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FEP
bulk rename of remaining USER- packages
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fmt
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
GPU
Bringing USER-DIELECTRIC up-to-date with latest changes in upstream LAMMPS
2021-05-28 12:41:52 -05:00
GRANULAR
Adding correct scalar variable
2021-06-22 14:40:10 -06:00
H5MD
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
INTEL
the INTEL package does not support pair_modify nofdotr
2021-07-12 05:19:41 -04:00
KIM
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
KOKKOS
Merge branch 'master' into refactor-reaxff-parser
2021-07-14 14:34:25 -04:00
KSPACE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
LATBOLTZ
rename USER-LB to LATBOLTZ
2021-06-29 17:07:14 -04:00
LATTE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
MACHDYN
rename USER-SMD package to MACHDYN
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MAKE
bulk rename of remaining USER- packages
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MANIFOLD
bulk rename of remaining USER- packages
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MANYBODY
fix sign errors and pair_modify nofdotr behavior for pair style bop
2021-07-11 19:27:49 -04:00
MC
bulk rename of remaining USER- packages
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MDI
bulk rename of remaining USER- packages
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MEAM
update MEAM package to correctly handle pair_modify nofdotr
2021-07-11 16:32:46 -04:00
MESONT
bulk rename of remaining USER- packages
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MESSAGE
update URLs in source code and manual
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MGPT
bulk rename of remaining USER- packages
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MISC
move fix imd from USER-MISC to MISC
2021-07-02 13:19:47 -04:00
ML-HDNNP
update path to examples in README files
2021-06-29 15:58:08 -04:00
ML-IAP
recover virial and nofdotr related changes by @athomps and @akohlmey
2021-07-12 15:58:27 -04:00
ML-PACE
rename USER-PACE to ML-PACE
2021-06-29 15:45:50 -04:00
ML-QUIP
update path to examples in README files
2021-06-29 15:58:08 -04:00
ML-RANN
pair style rann does not support per-atom stress or pair_modify nofdotr
2021-07-11 20:03:52 -04:00
ML-SNAP
Merge branch 'snap-scale' into fm
2021-07-06 17:23:24 +02:00
MOFFF
bulk rename of remaining USER- packages
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MOLECULE
update URLs in source code and manual
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MOLFILE
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MPIIO
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MSCG
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NETCDF
bulk rename of remaining USER- packages
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OPENMP
Merge pull request #2815 from stanmoore1/kk_hash
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OPT
update URLs in source code and manual
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PERI
update URLs in source code and manual
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PHONON
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PLUGIN
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PLUMED
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POEMS
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PTM
bulk rename of remaining USER- packages
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PYTHON
update URLs in source code and manual
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QEQ
Merge branch 'master' into refactor-reaxff-parser
2021-07-12 14:25:47 -04:00
QMMM
bulk rename of remaining USER- packages
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QTB
bulk rename of remaining USER- packages
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REACTION
bulk rename of remaining USER- packages
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REAXFF
fix whitespace
2021-07-12 16:23:45 -04:00
REPLICA
update URLs in source code and manual
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RIGID
update URLs in source code and manual
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SCAFACOS
bulk rename of remaining USER- packages
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SHOCK
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SMTBQ
bulk rename of remaining USER- packages
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SPH
bulk rename of remaining USER- packages
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SPIN
correcting small bug in fix nve/spin
2021-06-29 12:31:50 -06:00
SRD
reformat
2021-06-17 16:30:49 -04:00
STUBS
update URLs in source code and manual
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TALLY
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UEF
bulk rename of remaining USER- packages
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USER-MISC
recover virial and nofdotr related changes by @athomps and @akohlmey
2021-07-12 15:58:27 -04:00
VORONOI
update URLs in source code and manual
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VTK
bulk rename of remaining USER- packages
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YAFF
bulk rename of remaining USER- packages
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.clang-format
switch to 100 chars columnwidth and apply clang-format to a few .cpp files
2021-05-11 22:11:41 -04:00
.gitignore
Merge branch 'master' into refactor-reaxff-parser
2021-07-12 14:25:47 -04:00
accelerator_kokkos.h
Remove unused function
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accelerator_omp.h
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
angle_deprecated.cpp
update URLs in source code and manual
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angle_deprecated.h
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2021-05-24 14:18:20 -04:00
angle_hybrid.cpp
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2021-05-24 14:18:20 -04:00
angle_hybrid.h
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angle_zero.cpp
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angle_zero.h
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angle.cpp
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angle.h
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arg_info.cpp
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2021-05-24 14:18:20 -04:00
arg_info.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_map.cpp
Add atom_map hash option for Kokkos package
2021-06-28 08:38:31 -06:00
atom_map.h
update URLs in source code and manual
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atom_masks.h
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atom_vec_atomic.cpp
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atom_vec_atomic.h
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atom_vec_body.cpp
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atom_vec_body.h
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atom_vec_charge.cpp
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atom_vec_charge.h
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atom_vec_ellipsoid.cpp
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atom_vec_ellipsoid.h
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atom_vec_hybrid.cpp
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atom_vec_hybrid.h
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atom_vec_line.cpp
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atom_vec_line.h
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atom_vec_sphere.cpp
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atom_vec_sphere.h
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atom_vec_tri.cpp
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2021-05-24 14:18:20 -04:00
atom_vec_tri.h
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2021-05-24 14:18:20 -04:00
atom_vec.cpp
fix cut-n-paste bug in AtomVec class
2021-06-22 13:14:24 -04:00
atom_vec.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom.cpp
bulk rename of remaining USER- packages
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atom.h
destructor in polymorph base class should be virtual
2021-07-10 10:53:36 -04:00
balance.cpp
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
balance.h
update URLs in source code and manual
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body.cpp
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body.h
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bond_deprecated.cpp
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bond_deprecated.h
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bond_hybrid.cpp
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bond_hybrid.h
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bond_zero.cpp
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bond_zero.h
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bond.cpp
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bond.h
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change_box.cpp
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change_box.h
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citeme.cpp
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citeme.h
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comm_brick.cpp
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comm_brick.h
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comm_tiled.cpp
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comm_tiled.h
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comm.cpp
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2021-05-24 14:18:20 -04:00
comm.h
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
command.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_adf.cpp
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compute_adf.h
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compute_aggregate_atom.cpp
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compute_aggregate_atom.h
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compute_angle_local.cpp
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compute_angle_local.h
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compute_angle.cpp
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compute_angle.h
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compute_angmom_chunk.cpp
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compute_angmom_chunk.h
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compute_bond_local.cpp
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compute_bond_local.h
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compute_bond.cpp
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compute_bond.h
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compute_centro_atom.cpp
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compute_centro_atom.h
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compute_centroid_stress_atom.cpp
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compute_centroid_stress_atom.h
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compute_chunk_atom.cpp
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compute_chunk_atom.h
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compute_chunk_spread_atom.cpp
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compute_chunk_spread_atom.h
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compute_cluster_atom.cpp
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compute_cluster_atom.h
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compute_cna_atom.cpp
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compute_cna_atom.h
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compute_com_chunk.cpp
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compute_com_chunk.h
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compute_com.cpp
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compute_com.h
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compute_contact_atom.cpp
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compute_contact_atom.h
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compute_coord_atom.cpp
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compute_coord_atom.h
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compute_deprecated.cpp
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compute_deprecated.h
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compute_dihedral_local.cpp
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compute_dihedral_local.h
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compute_dihedral.cpp
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compute_dihedral.h
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compute_dipole_chunk.cpp
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compute_dipole_chunk.h
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compute_dipole.cpp
new compute dipole command
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compute_dipole.h
new compute dipole command
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compute_displace_atom.cpp
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compute_displace_atom.h
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compute_erotate_sphere_atom.cpp
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compute_erotate_sphere_atom.h
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compute_erotate_sphere.cpp
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compute_erotate_sphere.h
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compute_fragment_atom.cpp
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compute_fragment_atom.h
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compute_global_atom.cpp
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compute_global_atom.h
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compute_group_group.cpp
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compute_group_group.h
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compute_gyration_chunk.cpp
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compute_gyration_chunk.h
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compute_gyration.cpp
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compute_gyration.h
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compute_heat_flux.cpp
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compute_heat_flux.h
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compute_hexorder_atom.cpp
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compute_hexorder_atom.h
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compute_improper_local.cpp
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compute_improper_local.h
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compute_improper.cpp
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compute_improper.h
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compute_inertia_chunk.cpp
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compute_inertia_chunk.h
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compute_ke_atom.cpp
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compute_ke_atom.h
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compute_ke.cpp
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compute_ke.h
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compute_msd_chunk.cpp
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compute_msd_chunk.h
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compute_msd.cpp
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compute_msd.h
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compute_omega_chunk.cpp
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compute_omega_chunk.h
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compute_orientorder_atom.cpp
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compute_orientorder_atom.h
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2021-05-24 14:18:20 -04:00
compute_pair_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pair_local.h
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2021-05-24 14:18:20 -04:00
compute_pair.cpp
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2021-05-24 14:18:20 -04:00
compute_pair.h
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2021-05-24 14:18:20 -04:00
compute_pe_atom.cpp
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2021-05-24 14:18:20 -04:00
compute_pe_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe.cpp
reformat
2021-06-16 08:40:40 -04:00
compute_pe.h
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2021-05-24 14:18:20 -04:00
compute_pressure.cpp
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2021-05-24 14:18:20 -04:00
compute_pressure.h
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2021-05-24 14:18:20 -04:00
compute_property_atom.cpp
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2021-05-24 14:18:20 -04:00
compute_property_atom.h
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2021-05-24 14:18:20 -04:00
compute_property_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_local.cpp
NULL -> nullptr, and coding style updates
2021-07-03 15:50:09 -04:00
compute_property_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_rdf.cpp
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2021-05-24 14:18:20 -04:00
compute_rdf.h
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2021-05-24 14:18:20 -04:00
compute_reduce_chunk.cpp
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2021-05-24 14:18:20 -04:00
compute_reduce_chunk.h
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2021-05-24 14:18:20 -04:00
compute_reduce_region.cpp
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2021-05-24 14:18:20 -04:00
compute_reduce_region.h
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2021-05-24 14:18:20 -04:00
compute_reduce.cpp
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2021-05-24 14:18:20 -04:00
compute_reduce.h
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2021-05-24 14:18:20 -04:00
compute_slice.cpp
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2021-05-24 14:18:20 -04:00
compute_slice.h
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2021-05-24 14:18:20 -04:00
compute_stress_atom.cpp
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2021-05-24 14:18:20 -04:00
compute_stress_atom.h
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2021-05-24 14:18:20 -04:00
compute_temp_chunk.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_chunk.h
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2021-05-24 14:18:20 -04:00
compute_temp_com.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_com.h
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2021-05-24 14:18:20 -04:00
compute_temp_deform.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_deform.h
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2021-05-24 14:18:20 -04:00
compute_temp_partial.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_partial.h
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compute_temp_profile.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_profile.h
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2021-05-24 14:18:20 -04:00
compute_temp_ramp.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_ramp.h
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2021-05-24 14:18:20 -04:00
compute_temp_region.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_region.h
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2021-05-24 14:18:20 -04:00
compute_temp_sphere.cpp
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2021-05-24 14:18:20 -04:00
compute_temp_sphere.h
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2021-05-24 14:18:20 -04:00
compute_temp.cpp
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2021-05-24 14:18:20 -04:00
compute_temp.h
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2021-05-24 14:18:20 -04:00
compute_torque_chunk.cpp
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2021-05-24 14:18:20 -04:00
compute_torque_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vacf.cpp
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compute_vacf.h
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2021-05-24 14:18:20 -04:00
compute_vcm_chunk.cpp
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2021-05-24 14:18:20 -04:00
compute_vcm_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_atoms.cpp
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2021-05-24 14:18:20 -04:00
create_atoms.h
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2021-05-24 14:18:20 -04:00
create_bonds.cpp
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2021-05-24 14:18:20 -04:00
create_bonds.h
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2021-05-24 14:18:20 -04:00
create_box.cpp
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2021-05-24 14:18:20 -04:00
create_box.h
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2021-05-24 14:18:20 -04:00
delete_atoms.cpp
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2021-05-24 14:18:20 -04:00
delete_atoms.h
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2021-05-24 14:18:20 -04:00
delete_bonds.cpp
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2021-05-24 14:18:20 -04:00
delete_bonds.h
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2021-05-24 14:18:20 -04:00
Depend.sh
add missing dependency
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deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
deprecated.h
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dihedral_deprecated.cpp
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dihedral_deprecated.h
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dihedral_hybrid.cpp
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dihedral_hybrid.h
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dihedral_zero.cpp
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2021-05-24 14:18:20 -04:00
dihedral_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.h
update URLs in source code and manual
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displace_atoms.cpp
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2021-05-24 14:18:20 -04:00
displace_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
domain.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
domain.h
update URLs in source code and manual
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dump_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_cfg.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_cfg.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_custom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_custom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_dcd.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_dcd.h
update URLs in source code and manual
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dump_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_image.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_image.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_movie.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_movie.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_xyz.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_xyz.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
error.cpp
Make Kokkos init/finalize calls safer
2021-06-24 13:25:35 -06:00
error.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
exceptions.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Fetch.sh
…
file_writer.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
finish.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
finish.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_adapt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_adapt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_correlate.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_correlate.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo_weight.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo_weight.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_time.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_time.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_balance.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_balance.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_box_relax.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_box_relax.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_controller.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_controller.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deform.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deform.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_drag.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_drag.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dt_reset.cpp
reformat
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fix_dt_reset.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_external.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_external.h
update URLs in source code and manual
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fix_gravity.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_gravity.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_group.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_halt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_halt.h
update URLs in source code and manual
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fix_heat.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_move.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_move.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_neigh_history.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_neigh_history.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_sphere.h
update URLs in source code and manual
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fix_nph.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.h
update URLs in source code and manual
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fix_npt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_numdiff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_numdiff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.h
update URLs in source code and manual
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fix_nve_noforce.cpp
update URLs in source code and manual
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fix_nve_noforce.h
update URLs in source code and manual
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fix_nve_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sllod.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sllod.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nvt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_print.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_print.h
update URLs in source code and manual
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fix_property_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_property_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_read_restart.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_read_restart.h
update URLs in source code and manual
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fix_recenter.cpp
update URLs in source code and manual
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fix_recenter.h
update URLs in source code and manual
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fix_respa.cpp
update URLs in source code and manual
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fix_respa.h
update URLs in source code and manual
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fix_restrain.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_restrain.h
update URLs in source code and manual
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fix_setforce.cpp
update URLs in source code and manual
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fix_setforce.h
update URLs in source code and manual
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fix_spring_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.h
update URLs in source code and manual
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fix_spring_rg.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_rg.h
update URLs in source code and manual
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fix_spring_self.cpp
update URLs in source code and manual
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fix_spring_self.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.h
update URLs in source code and manual
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fix_store_force.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_state.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_state.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_csld.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_csld.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_csvr.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_csvr.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_tmd.cpp
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2021-05-24 14:18:20 -04:00
fix_tmd.h
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2021-05-24 14:18:20 -04:00
fix_vector.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_vector.h
update URLs in source code and manual
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fix_viscous.cpp
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fix_wall_harmonic.h
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fix_wall_lj93.cpp
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fix_wall_lj1043.cpp
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fix_wall_lj1043.h
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fix_wall_morse.cpp
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fix_wall_morse.h
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fix_wall_region.cpp
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fix_wall_region.h
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fix_wall.cpp
fix bug when reporting fix wall energies
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fix_wall.h
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fix.cpp
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fix.h
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fmtlib_format.cpp
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fmtlib_os.cpp
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force.cpp
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force.h
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group.cpp
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group.h
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hashlittle.cpp
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hashlittle.h
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image.cpp
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image.h
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imbalance_group.cpp
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imbalance_group.h
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imbalance_neigh.cpp
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imbalance_neigh.h
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imbalance_store.cpp
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imbalance_store.h
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imbalance_time.cpp
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imbalance_time.h
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imbalance_var.cpp
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imbalance_var.h
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imbalance.cpp
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imbalance.h
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improper_deprecated.cpp
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improper_deprecated.h
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improper_hybrid.cpp
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improper_hybrid.h
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improper_zero.cpp
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improper_zero.h
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improper.cpp
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improper.h
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info.cpp
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info.h
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input.cpp
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input.h
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Install.sh
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integrate.cpp
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integrate.h
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irregular.cpp
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irregular.h
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kspace_deprecated.cpp
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kspace_deprecated.h
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kspace.cpp
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kspace.h
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lammps.cpp
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lammps.h
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lammpsplugin.h
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lattice.cpp
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lattice.h
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library.cpp
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library.h
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lmppython.cpp
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lmppython.h
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lmprestart.h
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lmptype.h
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lmpwindows.h
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main.cpp
Make Kokkos init/finalize calls safer
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Make.sh
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Makefile
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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Makefile.list
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Makefile.print
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math_const.h
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math_eigen_impl.h
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math_eigen.cpp
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math_eigen.h
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math_extra.cpp
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math_extra.h
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math_special.cpp
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math_special.h
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memory.cpp
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memory.h
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min_cg.cpp
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min_cg.h
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min_fire_old.cpp
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min_fire_old.h
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min_fire.cpp
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min_fire.h
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min_hftn.cpp
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min_hftn.h
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min_linesearch.cpp
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min_linesearch.h
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min_quickmin.cpp
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min_quickmin.h
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min_sd.cpp
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min_sd.h
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min.cpp
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min.h
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minimize.cpp
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minimize.h
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modify.cpp
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modify.h
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molecule.cpp
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molecule.h
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mpiio.h
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my_page.cpp
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my_page.h
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my_pool_chunk.cpp
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my_pool_chunk.h
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nbin_multi.cpp
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nbin_multi.h
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nbin_standard.cpp
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nbin_standard.h
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nbin.cpp
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nbin.h
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neigh_list.cpp
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neigh_list.h
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neigh_request.cpp
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neigh_request.h
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neighbor.cpp
silence compiler warnings
2021-05-28 14:09:41 -04:00
neighbor.h
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npair_copy.cpp
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npair_copy.h
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npair_full_bin_atomonly.cpp
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npair_full_bin_atomonly.h
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npair_full_bin_ghost.cpp
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npair_full_bin_ghost.h
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npair_full_bin.cpp
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npair_full_bin.h
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npair_full_multi_old.cpp
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npair_full_multi_old.h
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npair_full_multi.cpp
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npair_full_multi.h
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npair_full_nsq_ghost.cpp
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npair_full_nsq_ghost.h
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npair_full_nsq.cpp
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npair_full_nsq.h
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npair_half_bin_atomonly_newton.cpp
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npair_half_bin_atomonly_newton.h
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npair_half_bin_newtoff_ghost.cpp
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npair_half_bin_newtoff_ghost.h
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npair_half_bin_newtoff.cpp
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npair_half_bin_newtoff.h
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npair_half_bin_newton_tri.cpp
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npair_half_bin_newton_tri.h
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npair_half_bin_newton.cpp
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npair_half_bin_newton.h
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npair_half_multi_newtoff.cpp
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npair_half_multi_newtoff.h
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npair_half_multi_newton_tri.cpp
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npair_half_multi_newton_tri.h
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npair_half_multi_newton.cpp
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npair_half_multi_newton.h
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npair_half_multi_old_newtoff.cpp
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npair_half_multi_old_newtoff.h
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npair_half_multi_old_newton_tri.cpp
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npair_half_multi_old_newton_tri.h
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npair_half_multi_old_newton.cpp
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npair_half_multi_old_newton.h
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npair_half_nsq_newtoff_ghost.cpp
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npair_half_nsq_newtoff_ghost.h
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npair_half_nsq_newtoff.cpp
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npair_half_nsq_newtoff.h
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npair_half_nsq_newton.cpp
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npair_half_nsq_newton.h
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npair_half_respa_bin_newtoff.cpp
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npair_half_respa_bin_newtoff.h
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npair_half_respa_bin_newton_tri.cpp
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npair_half_respa_bin_newton_tri.h
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npair_half_respa_bin_newton.cpp
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npair_half_respa_bin_newton.h
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npair_half_respa_nsq_newtoff.cpp
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npair_half_respa_nsq_newtoff.h
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npair_half_respa_nsq_newton.cpp
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npair_half_respa_nsq_newton.h
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npair_half_size_bin_newtoff.cpp
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npair_half_size_bin_newtoff.h
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npair_half_size_bin_newton_tri.cpp
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npair_half_size_bin_newton_tri.h
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npair_half_size_bin_newton.cpp
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npair_half_size_bin_newton.h
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npair_half_size_multi_newtoff.cpp
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npair_half_size_multi_newtoff.h
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npair_half_size_multi_newton_tri.cpp
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npair_half_size_multi_newton_tri.h
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npair_half_size_multi_newton.cpp
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npair_half_size_multi_newton.h
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2021-05-24 14:18:20 -04:00
npair_half_size_multi_old_newtoff.cpp
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npair_half_size_multi_old_newtoff.h
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npair_half_size_multi_old_newton_tri.cpp
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npair_half_size_multi_old_newton_tri.h
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npair_half_size_multi_old_newton.cpp
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npair_half_size_multi_old_newton.h
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npair_half_size_nsq_newtoff.cpp
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npair_half_size_nsq_newtoff.h
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npair_half_size_nsq_newton.cpp
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npair_half_size_nsq_newton.h
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npair_halffull_newtoff.cpp
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npair_halffull_newtoff.h
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npair_halffull_newton.cpp
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npair_halffull_newton.h
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npair_skip_respa.cpp
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npair_skip_respa.h
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npair_skip_size_off2on_oneside.cpp
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npair_skip_size_off2on_oneside.h
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npair_skip_size_off2on.cpp
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npair_skip_size_off2on.h
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npair_skip_size.cpp
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npair_skip_size.h
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npair_skip.cpp
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npair_skip.h
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npair.cpp
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npair.h
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nstencil_full_bin_2d.cpp
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nstencil_full_bin_2d.h
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nstencil_full_bin_3d.cpp
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nstencil_full_bin_3d.h
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nstencil_full_ghost_bin_2d.cpp
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nstencil_full_ghost_bin_2d.h
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nstencil_full_ghost_bin_3d.cpp
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nstencil_full_ghost_bin_3d.h
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nstencil_full_multi_2d.cpp
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nstencil_full_multi_2d.h
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nstencil_full_multi_3d.cpp
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nstencil_full_multi_3d.h
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nstencil_full_multi_old_2d.cpp
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nstencil_full_multi_old_2d.h
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nstencil_full_multi_old_3d.cpp
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nstencil_full_multi_old_3d.h
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nstencil_half_bin_2d_tri.cpp
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nstencil_half_bin_2d_tri.h
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nstencil_half_bin_2d.cpp
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nstencil_half_bin_2d.h
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nstencil_half_bin_3d_tri.cpp
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nstencil_half_bin_3d_tri.h
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nstencil_half_bin_3d.cpp
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nstencil_half_bin_3d.h
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nstencil_half_multi_2d_tri.cpp
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nstencil_half_multi_2d_tri.h
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nstencil_half_multi_2d.cpp
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nstencil_half_multi_2d.h
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nstencil_half_multi_3d_tri.cpp
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nstencil_half_multi_3d_tri.h
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nstencil_half_multi_3d.cpp
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nstencil_half_multi_3d.h
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nstencil_half_multi_old_2d_tri.cpp
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nstencil_half_multi_old_2d_tri.h
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nstencil_half_multi_old_2d.cpp
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nstencil_half_multi_old_2d.h
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nstencil_half_multi_old_3d_tri.cpp
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nstencil_half_multi_old_3d_tri.h
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nstencil_half_multi_old_3d.cpp
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nstencil_half_multi_old_3d.h
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nstencil.cpp
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nstencil.h
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ntopo_angle_all.cpp
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ntopo_angle_all.h
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ntopo_angle_partial.cpp
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ntopo_angle_partial.h
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ntopo_angle_template.cpp
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ntopo_angle_template.h
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ntopo_bond_all.cpp
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ntopo_bond_all.h
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ntopo_bond_partial.cpp
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ntopo_bond_partial.h
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ntopo_bond_template.cpp
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ntopo_bond_template.h
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ntopo_dihedral_all.cpp
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ntopo_dihedral_all.h
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ntopo_dihedral_partial.cpp
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ntopo_dihedral_partial.h
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ntopo_dihedral_template.cpp
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ntopo_dihedral_template.h
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ntopo_improper_all.cpp
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ntopo_improper_all.h
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ntopo_improper_partial.cpp
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ntopo_improper_partial.h
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ntopo_improper_template.cpp
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ntopo_improper_template.h
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ntopo.cpp
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ntopo.h
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omp_compat.h
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output.cpp
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output.h
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pack.h
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Package.sh
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pair_beck.cpp
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pair_beck.h
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pair_born_coul_dsf.cpp
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pair_born_coul_dsf.h
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pair_born_coul_wolf.cpp
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pair_born_coul_wolf.h
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pair_born.cpp
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pair_born.h
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pair_buck_coul_cut.cpp
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pair_buck_coul_cut.h
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pair_buck.cpp
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pair_buck.h
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pair_coul_cut_global.cpp
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pair_coul_cut_global.h
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pair_coul_cut.cpp
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pair_coul_cut.h
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pair_coul_debye.cpp
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pair_coul_debye.h
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pair_coul_dsf.cpp
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pair_coul_dsf.h
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pair_coul_streitz.cpp
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pair_coul_streitz.h
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pair_coul_wolf.cpp
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pair_coul_wolf.h
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pair_deprecated.cpp
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pair_deprecated.h
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pair_gauss.cpp
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pair_gauss.h
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pair_hybrid_overlay.cpp
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pair_hybrid_overlay.h
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pair_hybrid_scaled.cpp
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pair_hybrid_scaled.h
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pair_hybrid.cpp
Merge branch 'master' into refactor-reaxff-parser
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pair_hybrid.h
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pair_lj96_cut.cpp
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pair_lj96_cut.h
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pair_lj_cubic_const.h
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pair_lj_cubic.cpp
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pair_lj_cubic.h
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pair_lj_cut_coul_cut.cpp
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pair_lj_cut_coul_cut.h
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pair_lj_cut_coul_debye.cpp
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pair_lj_cut_coul_debye.h
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pair_lj_cut_coul_dsf.cpp
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pair_lj_cut_coul_dsf.h
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pair_lj_cut_coul_wolf.cpp
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pair_lj_cut_coul_wolf.h
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pair_lj_cut.cpp
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pair_lj_cut.h
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pair_lj_expand.cpp
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pair_lj_expand.h
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pair_lj_gromacs_coul_gromacs.cpp
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pair_lj_gromacs_coul_gromacs.h
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pair_lj_gromacs.cpp
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pair_lj_gromacs.h
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pair_lj_relres.cpp
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pair_lj_relres.h
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pair_lj_smooth_linear.cpp
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pair_lj_smooth_linear.h
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pair_lj_smooth.cpp
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pair_lj_smooth.h
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pair_mie_cut.cpp
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pair_mie_cut.h
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pair_morse.cpp
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pair_morse.h
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pair_soft.cpp
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pair_soft.h
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pair_table.cpp
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pair_table.h
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pair_ufm.cpp
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pair_ufm.h
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pair_yukawa.cpp
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pair_yukawa.h
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pair_zbl_const.h
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pair_zbl.cpp
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pair_zbl.h
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pair_zero.cpp
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pair_zero.h
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pair.cpp
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pair.h
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pointers.h
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potential_file_reader.cpp
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potential_file_reader.h
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procmap.cpp
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procmap.h
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Purge.list
Merge branch 'master' into refactor-reaxff-parser
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random_mars.cpp
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random_mars.h
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random_park.cpp
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random_park.h
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rcb.cpp
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rcb.h
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read_data.cpp
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read_data.h
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read_dump.cpp
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read_dump.h
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read_restart.cpp
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read_restart.h
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reader_native.cpp
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reader_native.h
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reader_xyz.cpp
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reader_xyz.h
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reader.cpp
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reader.h
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region_block.cpp
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region_block.h
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region_cone.cpp
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region_cone.h
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region_cylinder.cpp
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region_cylinder.h
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region_deprecated.cpp
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region_deprecated.h
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region_intersect.cpp
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region_intersect.h
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region_plane.cpp
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region_plane.h
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region_prism.cpp
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region_prism.h
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region_sphere.cpp
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region_sphere.h
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region_union.cpp
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region_union.h
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region.cpp
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region.h
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replicate.cpp
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replicate.h
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rerun.cpp
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rerun.h
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reset_atom_ids.cpp
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reset_atom_ids.h
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reset_mol_ids.cpp
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reset_mol_ids.h
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respa.cpp
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respa.h
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run.cpp
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run.h
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set.cpp
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set.h
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special.cpp
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special.h
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suffix.h
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table_file_reader.cpp
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table_file_reader.h
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tabular_function.cpp
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tabular_function.h
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text_file_reader.cpp
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text_file_reader.h
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thermo.cpp
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thermo.h
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timer.cpp
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timer.h
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tokenizer.cpp
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tokenizer.h
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universe.cpp
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universe.h
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update.cpp
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update.h
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utils.cpp
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utils.h
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variable.cpp
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variable.h
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velocity.cpp
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velocity.h
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verlet.cpp
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verlet.h
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version.h
step version strings for next patch release
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write_coeff.cpp
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write_coeff.h
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write_data.cpp
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write_data.h
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write_dump.cpp
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write_dump.h
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write_restart.cpp
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write_restart.h
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