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b1d3b56a17ae4ccf1fd728209d5f4d66ed2cbfaa
lammps/src
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Axel Kohlmeyer b1d3b56a17 apply bugfix reported in issue #820
2018-03-02 04:33:13 -05:00
..
ASPHERE
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BODY
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CLASS2
plug memory leak in pair style lj/class2/coul/long with coulomb tables
2018-02-25 14:03:07 +01:00
COLLOID
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COMPRESS
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CORESHELL
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DEPEND
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DIPOLE
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GPU
Merge pull request #710 from rpleite/add-pair-ufm
2018-02-02 14:38:28 -07:00
GRANULAR
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KIM
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KOKKOS
Merge pull request #813 from akohlmey/correct-neighbor-build
2018-02-22 08:48:06 -07:00
KSPACE
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LATTE
add code to check the ABI version of the LATTE library
2018-02-21 12:11:02 -05:00
MAKE
USER-INTEL: Adding missing backslash for two Makefiles using Intel compiler.
2018-01-17 21:59:37 -08:00
MANYBODY
make checking for tersoff parameters consistent across all implementations
2018-01-30 04:53:57 -05:00
MC
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
MEAM
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MISC
correct typo
2018-02-21 08:43:33 +01:00
MOLECULE
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MPIIO
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MSCG
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OPT
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PERI
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POEMS
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PYTHON
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QEQ
avoid uninitialized memory access errors reports from valgrind with fix qeq
2018-02-11 17:09:06 +01:00
REAX
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REPLICA
Merge pull request #813 from akohlmey/correct-neighbor-build
2018-02-22 08:48:06 -07:00
RIGID
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SHOCK
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SNAP
Fix issues in Kokkos pair snap and zbl
2018-01-13 21:31:11 -07:00
SRD
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STUBS
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USER-ATC
add a dependency on PairEAM/MANYBODY for installing USER-ATC
2018-01-23 16:27:06 +01:00
USER-AWPMD
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USER-CGDNA
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USER-CGSDK
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USER-COLVARS
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USER-DIFFRACTION
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USER-DPD
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
USER-DRUDE
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USER-EFF
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USER-FEP
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USER-H5MD
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USER-INTEL
Merge pull request #813 from akohlmey/correct-neighbor-build
2018-02-22 08:48:06 -07:00
USER-LB
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USER-MANIFOLD
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USER-MEAMC
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USER-MESO
fix bugs in documentation and implementation of atom style mdpd
2018-02-09 15:19:01 +01:00
USER-MGPT
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USER-MISC
dead code and uninitialized variables detected by clang
2018-02-23 12:04:15 +01:00
USER-MOFFF
added src/USER-MOFFF/README
2018-01-21 13:34:02 +01:00
USER-MOLFILE
replace non-ASCII character
2018-02-20 17:18:56 +01:00
USER-NETCDF
BUG: Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
2018-01-28 14:23:05 +01:00
USER-OMP
dead code and uninitialized variables detected by clang
2018-02-23 12:04:15 +01:00
USER-PHONON
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USER-QMMM
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USER-QTB
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USER-QUIP
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USER-REAXC
Merge pull request #758 from mkanski/ci-ReaxFF
2018-01-16 13:04:20 -07:00
USER-SMD
Merge branch 'patch-4' of https://github.com/abbatux/lammps into collected-small-changes
2018-02-13 09:51:02 +01:00
USER-SMTBQ
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USER-SPH
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USER-TALLY
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USER-UEF
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
USER-VTK
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VORONOI
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.gitignore
apply pattern to ignore OPT package sources
2018-02-06 16:57:27 +01:00
accelerator_kokkos.h
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accelerator_omp.h
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angle_hybrid.cpp
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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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atom_map.cpp
avoid segfault when using a hash as map on an empty system
2018-02-10 20:40:02 +01:00
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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atom_vec_tri.h
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atom_vec.cpp
remove tab char
2018-02-01 18:19:37 +01:00
atom_vec.h
modifications to correctly print modified dihedrals, impropers
2018-01-22 23:56:11 -07:00
atom.cpp
support offsets for molecule IDs (if available) in read_data similar to atomIDs
2018-02-23 18:02:05 -05:00
atom.h
support offsets for molecule IDs (if available) in read_data similar to atomIDs
2018-02-23 18:02:05 -05:00
balance.cpp
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balance.h
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body.cpp
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body.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
ring communication *is* called with outbut set to NULL, so don't error out on that.
2018-02-24 17:17:45 +01:00
comm.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_chunk_atom.cpp
apply bugfix reported in issue #820
2018-03-02 04:33:13 -05:00
compute_chunk_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_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_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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compute_pair_local.cpp
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compute_pair_local.h
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compute_pair.cpp
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compute_pair.h
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compute_pe_atom.cpp
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compute_pe_atom.h
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compute_pe.cpp
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compute_pe.h
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compute_pressure.cpp
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compute_pressure.h
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compute_property_atom.cpp
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compute_property_atom.h
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compute_property_chunk.cpp
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compute_property_chunk.h
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compute_property_local.cpp
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compute_property_local.h
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compute_rdf.cpp
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compute_rdf.h
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compute_reduce_region.cpp
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compute_reduce_region.h
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compute_reduce.cpp
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compute_reduce.h
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compute_slice.cpp
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compute_slice.h
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compute_stress_atom.cpp
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compute_stress_atom.h
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compute_temp_chunk.cpp
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compute_temp_chunk.h
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compute_temp_com.cpp
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compute_temp_com.h
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compute_temp_deform.cpp
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compute_temp_deform.h
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compute_temp_partial.cpp
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compute_temp_partial.h
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compute_temp_profile.cpp
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compute_temp_profile.h
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compute_temp_ramp.cpp
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compute_temp_ramp.h
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compute_temp_region.cpp
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compute_temp_region.h
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compute_temp_sphere.cpp
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compute_temp_sphere.h
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compute_temp.cpp
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compute_temp.h
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compute_torque_chunk.cpp
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compute_torque_chunk.h
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compute_vacf.cpp
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compute_vacf.h
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compute_vcm_chunk.cpp
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compute_vcm_chunk.h
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compute.cpp
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compute.h
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create_atoms.cpp
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create_atoms.h
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create_bonds.cpp
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
create_bonds.h
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create_box.cpp
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create_box.h
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delete_atoms.cpp
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
delete_atoms.h
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delete_bonds.cpp
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delete_bonds.h
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Depend.sh
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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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dihedral_zero.h
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dihedral.cpp
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dihedral.h
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displace_atoms.cpp
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displace_atoms.h
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domain.cpp
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domain.h
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dump_atom.cpp
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dump_atom.h
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dump_cfg.cpp
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dump_cfg.h
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dump_custom.cpp
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dump_custom.h
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dump_dcd.cpp
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dump_dcd.h
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dump_image.cpp
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dump_image.h
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dump_local.cpp
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dump_local.h
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dump_movie.cpp
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dump_movie.h
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dump_xyz.cpp
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dump_xyz.h
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dump.cpp
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dump.h
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error.cpp
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error.h
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exceptions.h
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finish.cpp
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finish.h
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fix_adapt.cpp
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fix_adapt.h
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fix_addforce.cpp
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fix_addforce.h
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fix_ave_atom.cpp
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fix_ave_atom.h
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fix_ave_chunk.cpp
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fix_ave_chunk.h
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fix_ave_correlate.cpp
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fix_ave_correlate.h
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fix_ave_histo_weight.cpp
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fix_ave_histo_weight.h
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fix_ave_histo.cpp
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fix_ave_histo.h
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fix_ave_time.cpp
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fix_ave_time.h
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fix_aveforce.cpp
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fix_aveforce.h
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fix_balance.cpp
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fix_balance.h
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fix_box_relax.cpp
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fix_box_relax.h
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fix_controller.cpp
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fix_controller.h
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fix_deform.cpp
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fix_deform.h
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fix_deprecated.cpp
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fix_deprecated.h
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fix_drag.cpp
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fix_drag.h
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fix_dt_reset.cpp
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fix_dt_reset.h
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fix_enforce2d.cpp
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fix_enforce2d.h
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fix_external.cpp
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fix_external.h
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fix_gravity.cpp
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fix_gravity.h
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fix_group.cpp
per-atom property dynamic group
2018-01-23 00:16:51 -07:00
fix_group.h
per-atom property dynamic group
2018-01-23 00:16:51 -07:00
fix_halt.cpp
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fix_halt.h
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fix_heat.cpp
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fix_heat.h
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fix_indent.cpp
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fix_indent.h
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fix_langevin.cpp
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fix_langevin.h
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fix_lineforce.cpp
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fix_lineforce.h
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fix_minimize.cpp
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fix_minimize.h
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fix_momentum.cpp
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fix_momentum.h
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fix_move.cpp
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fix_move.h
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fix_neigh_history.cpp
different bug fix for create_bonds, delete_atoms neigh list issue
2018-01-16 11:32:37 -07:00
fix_neigh_history.h
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fix_nh_sphere.cpp
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fix_nh_sphere.h
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fix_nh.cpp
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fix_nh.h
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fix_nph_sphere.cpp
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fix_nph_sphere.h
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fix_nph.cpp
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fix_nph.h
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fix_npt_sphere.cpp
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fix_npt_sphere.h
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fix_npt.cpp
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fix_npt.h
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fix_nve_limit.cpp
allow dynamics groups for fix nve/limit and fix temp/rescale
2018-02-15 05:17:15 -05:00
fix_nve_limit.h
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fix_nve_noforce.cpp
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fix_nve_noforce.h
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fix_nve_sphere.cpp
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fix_nve_sphere.h
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fix_nve.cpp
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fix_nve.h
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fix_nvt_sllod.cpp
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fix_nvt_sllod.h
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fix_nvt_sphere.cpp
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fix_nvt_sphere.h
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fix_nvt.cpp
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fix_nvt.h
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fix_planeforce.cpp
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fix_planeforce.h
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fix_press_berendsen.cpp
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fix_press_berendsen.h
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fix_print.cpp
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fix_print.h
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fix_property_atom.cpp
Fix bug in fix_property_atom
2018-01-17 10:41:56 -07:00
fix_property_atom.h
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fix_read_restart.cpp
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fix_read_restart.h
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fix_recenter.cpp
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fix_recenter.h
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fix_respa.cpp
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fix_respa.h
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fix_restrain.cpp
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fix_restrain.h
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fix_setforce.cpp
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fix_setforce.h
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fix_spring_chunk.cpp
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fix_spring_chunk.h
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fix_spring_rg.cpp
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fix_spring_rg.h
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fix_spring_self.cpp
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fix_spring_self.h
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fix_spring.cpp
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fix_spring.h
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fix_store_force.cpp
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fix_store_force.h
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fix_store_state.cpp
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fix_store_state.h
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fix_store.cpp
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fix_store.h
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fix_temp_berendsen.cpp
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fix_temp_berendsen.h
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fix_temp_csld.cpp
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fix_temp_csld.h
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fix_temp_csvr.cpp
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fix_temp_csvr.h
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fix_temp_rescale.cpp
allow dynamics groups for fix nve/limit and fix temp/rescale
2018-02-15 05:17:15 -05:00
fix_temp_rescale.h
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fix_tmd.cpp
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fix_tmd.h
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fix_vector.cpp
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fix_vector.h
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fix_viscous.cpp
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fix_viscous.h
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fix_wall_harmonic.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_harmonic.h
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fix_wall_lj93.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_lj93.h
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fix_wall_lj126.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_lj126.h
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fix_wall_lj1043.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_lj1043.h
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fix_wall_reflect.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_reflect.h
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fix_wall_region.cpp
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
fix_wall_region.h
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fix_wall.cpp
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fix_wall.h
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fix.cpp
2nd try on LATTE error returns, plus a couple minor doc edits
2018-02-20 12:52:12 -07:00
fix.h
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force.cpp
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force.h
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group.cpp
add group style to create an empty group directly
2018-02-13 14:54:30 +01:00
group.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_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
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00
irregular.cpp
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irregular.h
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kspace.cpp
update long-range coulomb message formatting, so it fits better into other kspace output
2018-02-16 14:24:33 +01:00
kspace.h
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lammps.cpp
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lammps.h
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lattice.cpp
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lattice.h
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library.cpp
avoid multiple calls to delete [] on the same pointer.
2018-02-28 14:02:16 +01:00
library.h
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lmptype.h
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lmpwindows.h
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main.cpp
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Make.sh
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Makefile
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Makefile.list
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Makefile.package.empty
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Makefile.package.settings.empty
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math_complex.h
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math_const.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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math_vector.h
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memory.cpp
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memory.h
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mergesort.h
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min_cg.cpp
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min_cg.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
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
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
correctly represent, that the molecule summary refers to the largest type number and not the number of types
2018-02-11 16:17:24 +01:00
molecule.h
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mpiio.h
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my_page.h
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my_pool_chunk.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
remove faulty line of code, left in by accident
2018-01-16 14:10:46 -05:00
neigh_request.h
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neighbor.cpp
Relax restriction in neighbor.cpp
2018-01-12 15:44:11 -07:00
neighbor.h
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
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.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_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
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_half_size_bin_newtoff.h
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npair_half_size_bin_newton_tri.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_half_size_bin_newton_tri.h
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npair_half_size_bin_newton.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_half_size_bin_newton.h
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npair_half_size_nsq_newtoff.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_half_size_nsq_newtoff.h
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npair_half_size_nsq_newton.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_half_size_nsq_newton.h
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npair_halffull_newtoff.cpp
Tweak to npair_halffull_newtoff.cpp
2018-01-16 16:43:25 -07:00
npair_halffull_newtoff.h
Add ghost option to npair_halffull
2018-01-11 15:15:04 -07:00
npair_halffull_newton.cpp
Only include ghosts for newton off, since this style exists as a standalone build, but the newton on method doesn't
2018-01-12 16:10:42 -07:00
npair_halffull_newton.h
Only include ghosts for newton off, since this style exists as a standalone build, but the newton on method doesn't
2018-01-12 16:10:42 -07:00
npair_skip_respa.cpp
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npair_skip_respa.h
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npair_skip_size_off2on_oneside.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_skip_size_off2on_oneside.h
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npair_skip_size_off2on.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_skip_size_off2on.h
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npair_skip_size.cpp
remove dead code in various neighbor list related source files
2018-02-08 13:07:56 -05:00
npair_skip_size.h
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npair_skip.cpp
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npair_skip.h
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npair.cpp
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
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_half_bin_2d_newtoff.cpp
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nstencil_half_bin_2d_newtoff.h
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nstencil_half_bin_2d_newton_tri.cpp
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nstencil_half_bin_2d_newton_tri.h
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nstencil_half_bin_2d_newton.cpp
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nstencil_half_bin_2d_newton.h
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nstencil_half_bin_3d_newtoff.cpp
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nstencil_half_bin_3d_newtoff.h
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nstencil_half_bin_3d_newton_tri.cpp
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nstencil_half_bin_3d_newton_tri.h
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nstencil_half_bin_3d_newton.cpp
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nstencil_half_bin_3d_newton.h
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nstencil_half_ghost_bin_2d_newtoff.cpp
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nstencil_half_ghost_bin_2d_newtoff.h
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nstencil_half_ghost_bin_3d_newtoff.cpp
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nstencil_half_ghost_bin_3d_newtoff.h
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nstencil_half_multi_2d_newtoff.cpp
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nstencil_half_multi_2d_newtoff.h
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nstencil_half_multi_2d_newton_tri.cpp
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nstencil_half_multi_2d_newton_tri.h
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nstencil_half_multi_2d_newton.cpp
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nstencil_half_multi_2d_newton.h
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nstencil_half_multi_3d_newtoff.cpp
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nstencil_half_multi_3d_newtoff.h
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nstencil_half_multi_3d_newton_tri.cpp
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nstencil_half_multi_3d_newton_tri.h
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nstencil_half_multi_3d_newton.cpp
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nstencil_half_multi_3d_newton.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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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.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_dpd_tstat.cpp
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pair_dpd_tstat.h
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pair_dpd.cpp
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pair_dpd.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.cpp
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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.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
more cleanup and respa code removal
2018-02-18 16:37:41 +01:00
pair_lj_cut_coul_wolf.h
more cleanup and respa code removal
2018-02-18 16:37:41 +01:00
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_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.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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procmap.cpp
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procmap.h
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Purge.list
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python.cpp
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python.h
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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
support offsets for molecule IDs (if available) in read_data similar to atomIDs
2018-02-23 18:02:05 -05:00
read_data.h
support offsets for molecule IDs (if available) in read_data similar to atomIDs
2018-02-23 18:02:05 -05:00
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_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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respa.cpp
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
respa.h
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00
run.cpp
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00
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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thermo.cpp
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thermo.h
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timer.cpp
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timer.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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variable.cpp
propagate printing variable name with error deeper into the code
2018-01-16 11:31:20 -05:00
variable.h
propagate printing variable name with error deeper into the code
2018-01-16 11:31:20 -05:00
velocity.cpp
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velocity.h
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verlet.cpp
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
verlet.h
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00
version.h
patch 22Feb18
2018-02-22 08:46:03 -07:00
write_coeff.cpp
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write_coeff.h
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write_data.cpp
make dihedrals and impropers header output consistent with bonds and angles
2018-02-15 05:13:59 -05:00
write_data.h
modifications to correctly print modified dihedrals, impropers
2018-01-22 23:56:11 -07:00
write_dump.cpp
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write_dump.h
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write_restart.cpp
Address bug in multifile restart writing with step number included
2018-02-01 14:25:55 +01:00
write_restart.h
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