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Ryan S. Elliott 25d2f4b1f6 Update pair_kim for v1.9.4 and versatile linking 
Use dlopen instead of directly linking to kim-api
library.  This will allow for easier distribution
of LAMMPS with support for KIM Models.
2018-04-02 09:39:44 -05:00
..
ASPHERE
remove trailing whitespace
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BODY
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CLASS2
remove trailing whitespace
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COLLOID
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
COMPRESS
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CORESHELL
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2018-03-16 12:34:33 -04:00
DEPEND
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DIPOLE
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GPU
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GRANULAR
more whitespace cleanup
2018-03-15 22:02:02 -04:00
KIM
Update pair_kim for v1.9.4 and versatile linking
2018-04-02 09:39:44 -05:00
KOKKOS
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
KSPACE
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
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
detect and error out on unsupported/old bop potential files
2018-03-21 19:40:25 -04:00
MC
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MEAM
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MISC
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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
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
REAX
remove code that has no effect
2018-03-07 11:12:08 -05:00
REPLICA
remove files that were added in error last summer by a pull request
2018-03-28 13:52:07 -04:00
RIGID
cleanup embedded or trailing tabs
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SHOCK
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SNAP
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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
Fix compiler warnings
2018-03-14 13:27:03 -06:00
USER-DRUDE
remove trailing whitespace
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USER-EFF
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USER-FEP
Moved some stuff around.
2017-10-26 12:25:55 -04:00
USER-H5MD
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USER-INTEL
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USER-LB
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USER-MANIFOLD
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USER-MEAMC
Merge pull request #842 from martok/meamc-bugfix
2018-03-23 13:40:14 -06:00
USER-MESO
remove trailing whitespace
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USER-MGPT
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USER-MISC
squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells
2018-03-28 10:57:13 -04:00
USER-MOFFF
remove trailing whitespace
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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
cleanup embedded or trailing tabs
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USER-PHONON
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USER-QMMM
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USER-QTB
cleanup embedded or trailing tabs
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USER-QUIP
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USER-REAXC
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USER-SMD
cleanup embedded or trailing tabs
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USER-SMTBQ
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
USER-SPH
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USER-TALLY
Add missing header files
2017-12-01 11:33:42 -07:00
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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
.gitignore
refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
2018-03-22 19:31:41 -04:00
accelerator_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
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
replace leading tabs
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atom_vec_body.h
whitespace cleanup
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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
remove trailing whitespace
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atom.h
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
balance.cpp
fix bug reported in issue #851
2018-03-26 11:51:00 -04:00
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
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comm.h
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compute_aggregate_atom.cpp
Merge pull request #728 from danicholson/cluster-fragment-aggregate-fixes
2018-03-02 15:52:26 -07:00
compute_aggregate_atom.h
Reverse communication compute fragment/aggregate
2017-11-12 15:57:02 -05:00
compute_angle_local.cpp
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compute_angle_local.h
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compute_angle.cpp
remove trailing whitespace
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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
whitespace cleanup
2018-03-15 21:57:45 -04:00
compute_chunk_atom.cpp
Fixed pbc wrapping in case of spherical bins
2018-03-21 21:20:15 +03:00
compute_chunk_atom.h
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compute_cluster_atom.cpp
Moved rerun bug fix to individual affected styles
2017-11-14 14:01:07 -05:00
compute_cluster_atom.h
add new compute fragment/atom
2017-08-18 19:07:32 -04:00
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
remove trailing whitespace
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compute_dipole_chunk.h
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compute_displace_atom.cpp
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
compute_displace_atom.h
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
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
Reverse communication compute fragment/aggregate
2017-11-12 15:57:02 -05:00
compute_fragment_atom.h
Reverse communication compute fragment/aggregate
2017-11-12 15:57:02 -05:00
compute_global_atom.cpp
remove trailing whitespace
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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
remove trailing whitespace
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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
disable disruptive debug output
2017-12-01 17:14:11 -05:00
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
remove trailing whitespace
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compute_property_local.h
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compute_rdf.cpp
Use multiple inheritance to remove accelerator_kokkos.h out of pair.h
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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
remove trailing whitespace
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compute.h
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
create_atoms.cpp
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create_atoms.h
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create_bonds.cpp
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create_bonds.h
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create_box.cpp
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create_box.h
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delete_atoms.cpp
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
delete_atoms.h
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delete_bonds.cpp
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delete_bonds.h
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Depend.sh
Add Kokkos versions of pair_style snap and zbl
2018-01-09 17:03:49 -07:00
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
remove trailing whitespace
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displace_atoms.h
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domain.cpp
remove trailing whitespace
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domain.h
whitespace cleanup
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dump_atom.cpp
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dump_atom.h
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dump_cfg.cpp
replace leading tabs
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dump_cfg.h
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dump_custom.cpp
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
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
Merge branch 'master' into resetids
2018-03-30 09:15:24 -06:00
dump.h
Merge branch 'master' into resetids
2018-03-30 09:15:24 -06:00
error.cpp
provide last input command line with error->one() output
2017-11-06 10:41:01 -05:00
error.h
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exceptions.h
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finish.cpp
more meaningful output for electron units. fix bug in time unit to fs conversion
2018-03-21 20:12:14 -04:00
finish.h
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fix_adapt.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fix_adapt.h
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fix_addforce.cpp
one more file that doesn't require to include accelerator_kokkos.h
2017-12-01 16:45:22 -05:00
fix_addforce.h
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fix_ave_atom.cpp
remove trailing whitespace
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fix_ave_atom.h
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fix_ave_chunk.cpp
remove trailing whitespace
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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
remove trailing whitespace
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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
remove trailing whitespace
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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
remove trailing whitespace
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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
fix external only needs to collect virial in case it is requested
2017-09-17 23:59:34 -04:00
fix_external.h
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fix_gravity.cpp
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fix_gravity.h
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fix_group.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
fix_group.h
per-atom property dynamic group
2018-01-23 00:16:51 -07:00
fix_halt.cpp
remove trailing whitespace
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fix_halt.h
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fix_heat.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
fix_heat.h
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fix_indent.cpp
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fix_indent.h
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fix_langevin.cpp
remove trailing whitespace
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fix_langevin.h
replace leading tabs
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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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
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
Moved some stuff around.
2017-10-26 12:25:55 -04:00
fix_nh_sphere.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fix_nh_sphere.h
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fix_nh.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fix_nh.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fix_nve_sphere.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
fix_nve.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
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
remove trailing whitespace
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fix_store_state.h
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fix_store.cpp
remove trailing whitespace
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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
remove trailing whitespace
2018-03-16 12:37:27 -04:00
fix_vector.h
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fix_viscous.cpp
allow fix viscous to be used with dynamic groups
2017-09-18 18:08:57 -04:00
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
…
fix_wall_lj1043.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
fix_wall_lj1043.h
…
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
…
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
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
fix_wall.cpp
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
fix_wall.h
…
fix.cpp
2nd try on LATTE error returns, plus a couple minor doc edits
2018-02-20 12:52:12 -07:00
fix.h
Moved some stuff around.
2017-10-26 12:25:55 -04:00
force.cpp
print error message when a pair style was not re-specified after reading a restart
2018-03-19 18:05:47 -04:00
force.h
add pointer Force class to temporarily hold the name of the restarted pair style
2018-03-19 18:03:13 -04:00
group.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
group.h
…
image.cpp
…
image.h
…
imbalance_group.cpp
…
imbalance_group.h
…
imbalance_neigh.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
imbalance_neigh.h
…
imbalance_store.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
imbalance_store.h
…
imbalance_time.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
imbalance_time.h
…
imbalance_var.cpp
…
imbalance_var.h
…
imbalance.cpp
…
imbalance.h
…
improper_hybrid.cpp
…
improper_hybrid.h
…
improper_zero.cpp
…
improper_zero.h
…
improper.cpp
…
improper.h
…
info.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
info.h
…
input.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
input.h
…
Install.sh
…
integrate.cpp
…
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
…
irregular.h
…
kspace.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
kspace.h
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
lammps.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
lammps.h
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
lattice.cpp
…
lattice.h
…
library.cpp
Merge pull request #850 from lammps/addlib
2018-03-27 14:39:16 -06:00
library.h
a few new lib interface methods
2018-03-23 13:34:22 -06:00
lmptype.h
…
lmpwindows.h
…
main.cpp
fix linker error bug with fftw3 and -DFFT_SINGLE
2018-03-21 12:13:09 -04:00
Make.sh
…
Makefile
Add make package-installed command
2018-03-01 10:39:06 -07:00
Makefile.list
…
Makefile.package.empty
…
Makefile.package.settings.empty
…
math_complex.h
…
math_const.h
…
math_extra.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
math_extra.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
math_special.cpp
MathSpecial::fm_exp: fix return value on ppc64
2018-03-28 11:51:04 -06:00
math_special.h
…
math_vector.h
…
memory.cpp
…
memory.h
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
mergesort.h
…
min_cg.cpp
…
min_cg.h
…
min_fire.cpp
…
min_fire.h
…
min_hftn.cpp
…
min_hftn.h
…
min_linesearch.cpp
…
min_linesearch.h
…
min_quickmin.cpp
…
min_quickmin.h
…
min_sd.cpp
…
min_sd.h
…
min.cpp
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
min.h
…
minimize.cpp
…
minimize.h
…
modify.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
modify.h
Moved some stuff around.
2017-10-26 12:25:55 -04:00
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
whitespace cleanup
2018-03-15 21:57:45 -04:00
mpiio.h
…
my_page.h
…
my_pool_chunk.h
…
nbin_standard.cpp
…
nbin_standard.h
…
nbin.cpp
…
nbin.h
…
neigh_list.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
neigh_list.h
Remove the now unused AIRct_ssa[] array from the NeighList class.
2017-11-03 13:42:36 -05:00
neigh_request.cpp
remove faulty line of code, left in by accident
2018-01-16 14:10:46 -05:00
neigh_request.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
neighbor.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
neighbor.h
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
npair_copy.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_copy.h
…
npair_full_bin_atomonly.cpp
…
npair_full_bin_atomonly.h
…
npair_full_bin_ghost.cpp
…
npair_full_bin_ghost.h
…
npair_full_bin.cpp
…
npair_full_bin.h
…
npair_full_multi.cpp
…
npair_full_multi.h
…
npair_full_nsq_ghost.cpp
…
npair_full_nsq_ghost.h
…
npair_full_nsq.cpp
…
npair_full_nsq.h
…
npair_half_bin_atomonly_newton.cpp
…
npair_half_bin_atomonly_newton.h
…
npair_half_bin_newtoff_ghost.cpp
…
npair_half_bin_newtoff_ghost.h
…
npair_half_bin_newtoff.cpp
…
npair_half_bin_newtoff.h
…
npair_half_bin_newton_tri.cpp
…
npair_half_bin_newton_tri.h
…
npair_half_bin_newton.cpp
…
npair_half_bin_newton.h
…
npair_half_multi_newtoff.cpp
…
npair_half_multi_newtoff.h
…
npair_half_multi_newton_tri.cpp
…
npair_half_multi_newton_tri.h
…
npair_half_multi_newton.cpp
…
npair_half_multi_newton.h
…
npair_half_nsq_newtoff_ghost.cpp
…
npair_half_nsq_newtoff_ghost.h
…
npair_half_nsq_newtoff.cpp
…
npair_half_nsq_newtoff.h
…
npair_half_nsq_newton.cpp
…
npair_half_nsq_newton.h
…
npair_half_respa_bin_newtoff.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newtoff.h
…
npair_half_respa_bin_newton_tri.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newton_tri.h
…
npair_half_respa_bin_newton.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newton.h
…
npair_half_respa_nsq_newtoff.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_half_respa_nsq_newtoff.h
…
npair_half_respa_nsq_newton.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_half_respa_nsq_newton.h
…
npair_half_size_bin_newtoff.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
npair_half_size_bin_newtoff.h
…
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
…
npair_half_size_bin_newton.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
npair_half_size_bin_newton.h
…
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
…
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
…
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
Moved some stuff around.
2017-10-26 12:25:55 -04:00
npair_skip_respa.h
…
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
…
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
…
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
…
npair_skip.cpp
…
npair_skip.h
…
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
…
nstencil_full_bin_2d.h
…
nstencil_full_bin_3d.cpp
…
nstencil_full_bin_3d.h
…
nstencil_full_ghost_bin_2d.cpp
…
nstencil_full_ghost_bin_2d.h
…
nstencil_full_ghost_bin_3d.cpp
…
nstencil_full_ghost_bin_3d.h
…
nstencil_full_multi_2d.cpp
…
nstencil_full_multi_2d.h
…
nstencil_full_multi_3d.cpp
…
nstencil_full_multi_3d.h
…
nstencil_half_bin_2d_newtoff.cpp
…
nstencil_half_bin_2d_newtoff.h
…
nstencil_half_bin_2d_newton_tri.cpp
…
nstencil_half_bin_2d_newton_tri.h
…
nstencil_half_bin_2d_newton.cpp
…
nstencil_half_bin_2d_newton.h
…
nstencil_half_bin_3d_newtoff.cpp
…
nstencil_half_bin_3d_newtoff.h
…
nstencil_half_bin_3d_newton_tri.cpp
…
nstencil_half_bin_3d_newton_tri.h
…
nstencil_half_bin_3d_newton.cpp
…
nstencil_half_bin_3d_newton.h
…
nstencil_half_ghost_bin_2d_newtoff.cpp
…
nstencil_half_ghost_bin_2d_newtoff.h
…
nstencil_half_ghost_bin_3d_newtoff.cpp
…
nstencil_half_ghost_bin_3d_newtoff.h
…
nstencil_half_multi_2d_newtoff.cpp
…
nstencil_half_multi_2d_newtoff.h
…
nstencil_half_multi_2d_newton_tri.cpp
…
nstencil_half_multi_2d_newton_tri.h
…
nstencil_half_multi_2d_newton.cpp
…
nstencil_half_multi_2d_newton.h
…
nstencil_half_multi_3d_newtoff.cpp
…
nstencil_half_multi_3d_newtoff.h
…
nstencil_half_multi_3d_newton_tri.cpp
…
nstencil_half_multi_3d_newton_tri.h
…
nstencil_half_multi_3d_newton.cpp
…
nstencil_half_multi_3d_newton.h
…
nstencil.cpp
…
nstencil.h
…
ntopo_angle_all.cpp
…
ntopo_angle_all.h
…
ntopo_angle_partial.cpp
…
ntopo_angle_partial.h
…
ntopo_angle_template.cpp
…
ntopo_angle_template.h
…
ntopo_bond_all.cpp
…
ntopo_bond_all.h
…
ntopo_bond_partial.cpp
…
ntopo_bond_partial.h
…
ntopo_bond_template.cpp
…
ntopo_bond_template.h
…
ntopo_dihedral_all.cpp
…
ntopo_dihedral_all.h
…
ntopo_dihedral_partial.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ntopo_dihedral_partial.h
…
ntopo_dihedral_template.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ntopo_dihedral_template.h
…
ntopo_improper_all.cpp
…
ntopo_improper_all.h
…
ntopo_improper_partial.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ntopo_improper_partial.h
…
ntopo_improper_template.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ntopo_improper_template.h
…
ntopo.cpp
…
ntopo.h
…
output.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
output.h
…
pack.h
…
Package.sh
Add make package-installed command
2018-03-01 10:39:06 -07:00
pair_beck.cpp
…
pair_beck.h
…
pair_born_coul_dsf.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_born_coul_dsf.h
…
pair_born_coul_wolf.cpp
…
pair_born_coul_wolf.h
…
pair_born.cpp
…
pair_born.h
…
pair_buck_coul_cut.cpp
…
pair_buck_coul_cut.h
…
pair_buck.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pair_buck.h
…
pair_coul_cut.cpp
…
pair_coul_cut.h
…
pair_coul_debye.cpp
…
pair_coul_debye.h
…
pair_coul_dsf.cpp
…
pair_coul_dsf.h
…
pair_coul_streitz.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_coul_streitz.h
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_coul_wolf.cpp
…
pair_coul_wolf.h
…
pair_dpd_tstat.cpp
…
pair_dpd_tstat.h
…
pair_dpd.cpp
…
pair_dpd.h
…
pair_gauss.cpp
…
pair_gauss.h
…
pair_hybrid_overlay.cpp
…
pair_hybrid_overlay.h
…
pair_hybrid.cpp
Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay
2017-08-25 15:16:19 -06:00
pair_hybrid.h
Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay
2017-08-25 15:16:19 -06:00
pair_lj96_cut.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_lj96_cut.h
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_lj_cubic.cpp
…
pair_lj_cubic.h
…
pair_lj_cut_coul_cut.cpp
…
pair_lj_cut_coul_cut.h
…
pair_lj_cut_coul_debye.cpp
…
pair_lj_cut_coul_debye.h
…
pair_lj_cut_coul_dsf.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_lj_cut_coul_dsf.h
…
pair_lj_cut_coul_wolf.cpp
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_lj_cut_coul_wolf.h
more cleanup and respa code removal
2018-02-18 16:37:41 +01:00
pair_lj_cut.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_lj_cut.h
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_lj_expand.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_lj_expand.h
…
pair_lj_gromacs_coul_gromacs.cpp
…
pair_lj_gromacs_coul_gromacs.h
…
pair_lj_gromacs.cpp
…
pair_lj_gromacs.h
…
pair_lj_smooth_linear.cpp
…
pair_lj_smooth_linear.h
…
pair_lj_smooth.cpp
…
pair_lj_smooth.h
…
pair_mie_cut.cpp
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_mie_cut.h
Moved some stuff around.
2017-10-26 12:25:55 -04:00
pair_morse.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pair_morse.h
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pair_soft.cpp
…
pair_soft.h
…
pair_table.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pair_table.h
…
pair_ufm.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
pair_ufm.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
pair_yukawa.cpp
Undid the removal of rad in pair_yukawa.
2017-11-17 15:07:59 -05:00
pair_yukawa.h
Undid the removal of rad in pair_yukawa.
2017-11-17 15:07:59 -05:00
pair_zbl.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
pair_zbl.h
Add Kokkos versions of pair_style snap and zbl
2018-01-09 17:03:49 -07:00
pair_zero.cpp
…
pair_zero.h
…
pair.cpp
abort with an error when a pair style incorrectly advertises a restart ability
2018-03-19 18:25:18 -04:00
pair.h
abort with an error when a pair style incorrectly advertises a restart ability
2018-03-19 18:25:18 -04:00
pointers.h
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
procmap.cpp
…
procmap.h
…
Purge.list
Merge remote-tracking branch 'upstream/master' into fix_python_move
2017-12-15 13:56:54 -05:00
python.cpp
…
python.h
…
random_mars.cpp
…
random_mars.h
…
random_park.cpp
…
random_park.h
…
rcb.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
rcb.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
read_data.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
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
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
read_dump.h
…
read_restart.cpp
print a message about the restored atom style
2018-03-19 18:57:28 -04:00
read_restart.h
…
reader_native.cpp
…
reader_native.h
…
reader_xyz.cpp
…
reader_xyz.h
…
reader.cpp
…
reader.h
…
region_block.cpp
…
region_block.h
…
region_cone.cpp
…
region_cone.h
…
region_cylinder.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
region_cylinder.h
…
region_intersect.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
region_intersect.h
…
region_plane.cpp
…
region_plane.h
…
region_prism.cpp
…
region_prism.h
…
region_sphere.cpp
…
region_sphere.h
…
region_union.cpp
replace leading tabs
2018-03-16 12:34:33 -04:00
region_union.h
…
region.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
region.h
cleanup embedded or trailing tabs
2018-03-16 13:21:54 -04:00
replicate.cpp
Replicate bbox from Chris Knight
2017-11-06 11:31:43 -07:00
replicate.h
…
rerun.cpp
…
rerun.h
…
reset_ids.cpp
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
reset_ids.h
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
respa.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
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
…
set.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
set.h
whitespace cleanup
2018-03-15 21:57:45 -04:00
special.cpp
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
special.h
…
suffix.h
…
thermo.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
thermo.h
…
timer.cpp
…
timer.h
…
universe.cpp
…
universe.h
…
update.cpp
more meaningful output for electron units. fix bug in time unit to fs conversion
2018-03-21 20:12:14 -04:00
update.h
…
variable.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
variable.h
propagate printing variable name with error deeper into the code
2018-01-16 11:31:20 -05:00
velocity.cpp
…
velocity.h
…
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 30Mar18
2018-03-30 15:21:55 -06:00
write_coeff.cpp
Use multiple inheritance to remove accelerator_kokkos.h out of pair.h
2017-12-01 09:51:40 -07:00
write_coeff.h
…
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
print write dump systen init warning only on MPI rank 0
2017-08-23 21:01:55 -04:00
write_dump.h
…
write_restart.cpp
write the name of a pair style to the restart even if it does not store data
2018-03-19 18:00:48 -04:00
write_restart.h
…