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lammps/src
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Axel Kohlmeyer db4fcd7537 update package dependency
2021-07-30 15:24:23 -04:00
..
ADIOS
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
ASPHERE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ATC
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
AWPMD
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
BOCS
Fixed RESPA/kspace/barostat bug in BOCS, DRUDE, and USER-MISC
2021-07-18 16:22:25 -03:00
BODY
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
BROWNIAN
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
CG-DNA
silence compiler warnings
2021-07-28 16:16:22 -04:00
CG-SDK
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
2021-06-29 15:28:27 -04:00
CLASS2
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
COLLOID
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
COLVARS
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
COMPRESS
we require at least zstd API version 1.4
2021-07-06 13:39:07 -04:00
CORESHELL
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
DEPEND
add clang-format support for fastdep tool
2021-05-05 23:46:26 -04:00
DIELECTRIC
silence compiler warnings
2021-07-28 16:16:22 -04:00
DIFFRACTION
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
DIPOLE
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
DPD-BASIC
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
2021-07-01 00:51:55 -04:00
DPD-MESO
rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
2021-06-29 19:45:38 -04:00
DPD-REACT
rename some examples folders
2021-06-29 20:25:18 -04:00
DPD-SMOOTH
silence compiler warnings
2021-07-28 16:16:22 -04:00
DRUDE
Fixed RESPA/kspace/barostat bug in BOCS, DRUDE, and USER-MISC
2021-07-18 16:22:25 -03:00
EFF
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
EXTRA-COMPUTE
fixing indexing bug
2021-07-30 18:14:44 +02:00
EXTRA-DUMP
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
EXTRA-FIX
move back to src for dependencies
2021-07-27 15:53:35 -04:00
EXTRA-MOLECULE
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
EXTRA-PAIR
forgot to move pair style beck to EXTRA-PAIR
2021-07-28 18:33:33 -04:00
FEP
fix issues with pair style more/soft and reformat
2021-07-19 01:04:35 -04:00
fmt
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
GPU
update pair style installation dependencies
2021-07-28 18:37:59 -04:00
GRANULAR
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
H5MD
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
INTEL
whitespace fixes
2021-07-27 14:32:04 -04:00
INTERLAYER
Merge branch 'master' into package-reorganization2
2021-07-23 07:41:10 -04:00
KIM
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
KOKKOS
remove unused file
2021-07-29 17:08:16 -04:00
KSPACE
fix up some more package designations and clean up some legacy formatting
2021-07-25 20:23:37 -04:00
LATBOLTZ
rename USER-LB to LATBOLTZ
2021-06-29 17:07:14 -04:00
LATTE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
MACHDYN
rename USER-SMD package to MACHDYN
2021-06-29 17:19:39 -04:00
MAKE
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MANIFOLD
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MANYBODY
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
MC
Resolved bogus merge conflict and added change to last molecule deletion
2021-07-14 11:07:10 -06:00
MDI
use fabs() instead of abs() on floating point number
2021-07-28 16:17:12 -04:00
MEAM
update MEAM package to correctly handle pair_modify nofdotr
2021-07-11 16:32:46 -04:00
MESONT
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MESSAGE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
MGPT
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MISC
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
ML-HDNNP
update path to examples in README files
2021-06-29 15:58:08 -04:00
ML-IAP
recover virial and nofdotr related changes by @athomps and @akohlmey
2021-07-12 15:58:27 -04:00
ML-PACE
rename USER-PACE to ML-PACE
2021-06-29 15:45:50 -04:00
ML-QUIP
reformat with clang-format
2021-07-20 19:36:44 -04:00
ML-RANN
avoid segfault
2021-07-28 21:50:20 -04:00
ML-SNAP
Merge branch 'snap-scale' into fm
2021-07-06 17:23:24 +02:00
MOFFF
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MOLECULE
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
MOLFILE
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
MPIIO
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
MSCG
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
NETCDF
port changes from dump netcdf to dump netcdf/mpiio
2021-07-18 19:04:08 -04:00
OPENMP
removed dead code and make consistent with non-OPENMP version
2021-07-28 16:16:42 -04:00
OPT
update package dependency
2021-07-30 15:24:23 -04:00
ORIENT
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
PERI
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
PHONON
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
PLUGIN
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
PLUMED
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
POEMS
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
PTM
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
PYTHON
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
QEQ
correctly detect when to retrieve parameters from pair style reaxff
2021-07-21 22:53:18 -04:00
QMMM
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
QTB
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
REACTION
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
REAXFF
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
2021-07-21 21:52:25 -04:00
REPLICA
move pimd to REPLICA
2021-07-25 09:59:56 -04:00
RIGID
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
SCAFACOS
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
SHOCK
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
SMTBQ
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
SPH
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
SPIN
correcting small bug in fix nve/spin
2021-06-29 12:31:50 -06:00
SRD
reformat
2021-06-17 16:30:49 -04:00
STUBS
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
TALLY
address CodeQL warnings and reformat with clang-format
2021-07-27 12:29:44 -04:00
UEF
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
VORONOI
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
VTK
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
YAFF
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
.clang-format
switch to 100 chars columnwidth and apply clang-format to a few .cpp files
2021-05-11 22:11:41 -04:00
.gitignore
update .gitignore
2021-07-29 16:07:23 -04:00
accelerator_kokkos.h
Remove unused function
2021-06-25 10:32:54 -06:00
accelerator_omp.h
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
angle_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_hybrid.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
arg_info.cpp
fix bugs in ArgInfo class
2021-07-29 20:57:42 -04:00
arg_info.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_map.cpp
Add atom_map hash option for Kokkos package
2021-06-28 08:38:31 -06:00
atom_map.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_masks.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_atomic.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_atomic.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_body.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_body.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_charge.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_charge.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_ellipsoid.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_ellipsoid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_hybrid.cpp
whitespace fixes
2021-07-15 15:12:04 -04:00
atom_vec_hybrid.h
Removed virtual keyword, defined internal variable
2021-07-15 17:32:19 +01:00
atom_vec_line.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_line.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec.cpp
fix cut-n-paste bug in AtomVec class
2021-06-22 13:14:24 -04:00
atom_vec.h
Modified data_bonds_post() and calling structure
2021-07-15 13:36:40 +01:00
atom.cpp
Use latest versions in master branch
2021-07-15 13:53:15 +01:00
atom.h
Use latest versions in master branch
2021-07-15 13:53:15 +01:00
balance.cpp
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
balance.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
body.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
body.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_hybrid.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
change_box.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
change_box.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
citeme.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
citeme.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm_brick.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm_brick.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm_tiled.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm_tiled.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm.h
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
command.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_aggregate_atom.cpp
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_aggregate_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_angle_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angmom_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angmom_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centro_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centro_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centroid_stress_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centroid_stress_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_spread_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_spread_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_cluster_atom.cpp
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_cluster_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_cna_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_cna_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_coord_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_coord_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole.cpp
new compute dipole command
2021-06-22 11:57:29 -04:00
compute_dipole.h
new compute dipole command
2021-06-22 11:57:29 -04:00
compute_displace_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_displace_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_fragment_atom.cpp
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_fragment_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_global_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_global_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_group_group.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_group_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_heat_flux.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_heat_flux.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_inertia_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_inertia_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_omega_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_omega_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_orientorder_atom.cpp
move compute orientorder/atom because compute coord/atom depends on it
2021-07-27 11:16:40 -04:00
compute_orientorder_atom.h
move compute orientorder/atom because compute coord/atom depends on it
2021-07-27 11:16:40 -04:00
compute_pair_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pair_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pair.cpp
reformat
2021-07-21 22:00:27 -04:00
compute_pair.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe.cpp
reformat
2021-06-16 08:40:40 -04:00
compute_pe.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pressure.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pressure.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_local.cpp
NULL -> nullptr, and coding style updates
2021-07-03 15:50:09 -04:00
compute_property_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_rdf.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_rdf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_slice.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_slice.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_stress_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_stress_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_com.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_deform.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_deform.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_profile.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_profile.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_ramp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_ramp.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_torque_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_torque_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vacf.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vacf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vcm_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vcm_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_atoms.cpp
whitespace
2021-07-22 16:37:06 -04:00
create_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_bonds.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_bonds.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_box.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_box.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_atoms.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_bonds.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_bonds.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Depend.sh
add missing package dependency
2021-07-28 18:45:09 -04:00
deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_hybrid.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
displace_atoms.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
displace_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
domain.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
domain.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_cfg.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_cfg.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_custom.cpp
simplify, reformat, and better error messages
2021-07-18 16:42:43 -04:00
dump_custom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_image.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_image.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_movie.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_movie.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_xyz.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_xyz.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump.cpp
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
dump.h
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
error.cpp
Make Kokkos init/finalize calls safer
2021-06-24 13:25:35 -06:00
error.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
exceptions.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Fetch.sh
…
file_writer.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
finish.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
finish.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_adapt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_adapt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_correlate.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_correlate.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo_weight.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo_weight.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_time.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_time.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_balance.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_balance.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_box_relax.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_box_relax.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deform.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deform.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deposit.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_deposit.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dt_reset.cpp
reformat
2021-06-22 18:29:13 -04:00
fix_dt_reset.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_efield.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_efield.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_enforce2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_evaporate.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_evaporate.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_external.cpp
make virial processing use the total global virial
2021-07-21 17:06:21 -04:00
fix_external.h
make contribution to global virial compatible with pf/array mode
2021-07-21 00:25:32 -04:00
fix_gravity.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_gravity.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_group.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_halt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_halt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_move.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_move.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_neigh_history.cpp
whitespace
2021-06-04 00:57:26 -04:00
fix_neigh_history.h
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
fix_nh_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh.cpp
Fixed bug in fix np[ht] with runstyle respa
2021-07-18 12:48:05 -03:00
fix_nh.h
Fixed bug in fix np[ht] with runstyle respa
2021-07-18 12:48:05 -03:00
fix_nph_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_noforce.cpp
move back to src for dependencies
2021-07-27 15:53:35 -04:00
fix_nve_noforce.h
move back to src for dependencies
2021-07-27 15:53:35 -04:00
fix_nve_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sllod.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sllod.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nvt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_print.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_print.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_property_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_property_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_read_restart.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_read_restart.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_recenter.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_recenter.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_respa.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_respa.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_restrain.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_restrain.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_self.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_self.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_state.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_state.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_thermal_conductivity.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_thermal_conductivity.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_vector.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_vector.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_viscous.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_viscous.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_harmonic.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_harmonic.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj126.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj126.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj1043.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj1043.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_morse.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_morse.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect.h
update URLs in source code and manual
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fix_wall_region.cpp
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fix_wall_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall.cpp
fix bug when reporting fix wall energies
2021-06-05 16:16:57 -04:00
fix_wall.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix.cpp
update URLs in source code and manual
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fix.h
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fmtlib_format.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
fmtlib_os.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
force.cpp
update URLs in source code and manual
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force.h
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group.cpp
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group.h
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hashlittle.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
hashlittle.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
image.cpp
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image.h
update URLs in source code and manual
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imbalance_group.cpp
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
imbalance_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_neigh.cpp
skip using neighbor list load balancing weight when using KOKKOS with GPU
2021-07-28 21:30:06 -04:00
imbalance_neigh.h
update URLs in source code and manual
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imbalance_store.cpp
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imbalance_store.h
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imbalance_time.cpp
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imbalance_time.h
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imbalance_var.cpp
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imbalance_var.h
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imbalance.cpp
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imbalance.h
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improper_deprecated.cpp
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improper_deprecated.h
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improper_hybrid.cpp
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improper_hybrid.h
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improper_zero.cpp
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improper_zero.h
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improper.cpp
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improper.h
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info.cpp
bulk rename of remaining USER- packages
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info.h
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input.cpp
reformat
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input.h
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Install.sh
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integrate.cpp
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integrate.h
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irregular.cpp
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irregular.h
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kspace_deprecated.cpp
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kspace_deprecated.h
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kspace.cpp
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kspace.h
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lammps.cpp
bulk rename of remaining USER- packages
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lammps.h
bulk rename of remaining USER- packages
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lammpsplugin.h
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lattice.cpp
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lattice.h
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library.cpp
update some version strings for library and python APIs
2021-07-26 23:10:24 -04:00
library.h
add lammps_gather_bonds() function to the C library interface
2021-07-26 18:32:06 -04:00
lmppython.cpp
update URLs in source code and manual
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lmppython.h
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lmprestart.h
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lmptype.h
Fixes to the Intel package to remove errors and warnings with clang-based compiler and support alternate preprocessor defines for the next-gen Intel compiler (currently not recommended for performance)..
2021-07-19 11:16:09 -07:00
lmpwindows.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
main.cpp
Make Kokkos init/finalize calls safer
2021-06-24 13:25:35 -06:00
Make.sh
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Makefile
complete moving packages and styles around
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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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Makefile.print
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math_const.h
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math_eigen_impl.h
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math_eigen.cpp
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math_eigen.h
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math_extra.cpp
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math_extra.h
update URLs in source code and manual
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math_special.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
math_special.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
memory.cpp
Fixes to the Intel package to remove errors and warnings with clang-based compiler and support alternate preprocessor defines for the next-gen Intel compiler (currently not recommended for performance)..
2021-07-19 11:16:09 -07:00
memory.h
update URLs in source code and manual
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min_cg.cpp
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min_cg.h
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min_fire_old.cpp
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min_fire_old.h
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min_fire.cpp
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min_fire.h
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min_hftn.cpp
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min_hftn.h
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min_linesearch.cpp
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min_linesearch.h
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min_quickmin.cpp
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min_quickmin.h
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min_sd.cpp
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min_sd.h
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min.cpp
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min.h
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minimize.cpp
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minimize.h
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modify.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
modify.h
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molecule.cpp
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molecule.h
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mpiio.h
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my_page.cpp
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my_page.h
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my_pool_chunk.cpp
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my_pool_chunk.h
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nbin_multi.cpp
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nbin_multi.h
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nbin_standard.cpp
bulk rename of remaining USER- packages
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nbin_standard.h
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nbin.cpp
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2021-05-24 14:18:20 -04:00
nbin.h
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2021-05-24 14:18:20 -04:00
neigh_list.cpp
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
neigh_list.h
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
neigh_request.cpp
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2021-05-24 14:18:20 -04:00
neigh_request.h
bulk rename of remaining USER- packages
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neighbor.cpp
silence compiler warnings
2021-05-28 14:09:41 -04:00
neighbor.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy.cpp
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2021-05-24 14:18:20 -04:00
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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2021-05-24 14:18:20 -04:00
npair_full_bin.h
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npair_full_multi_old.cpp
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2021-05-24 14:18:20 -04:00
npair_full_multi_old.h
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2021-05-24 14:18:20 -04:00
npair_full_multi.cpp
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2021-05-24 14:18:20 -04:00
npair_full_multi.h
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2021-05-24 14:18:20 -04:00
npair_full_nsq_ghost.cpp
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2021-05-24 14:18:20 -04:00
npair_full_nsq_ghost.h
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npair_full_nsq.cpp
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2021-05-24 14:18:20 -04:00
npair_full_nsq.h
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2021-05-24 14:18:20 -04:00
npair_half_bin_atomonly_newton.cpp
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2021-05-24 14:18:20 -04:00
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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2021-05-24 14:18:20 -04:00
npair_half_bin_newton_tri.cpp
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2021-05-24 14:18:20 -04:00
npair_half_bin_newton_tri.h
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2021-05-24 14:18:20 -04:00
npair_half_bin_newton.cpp
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2021-05-24 14:18:20 -04:00
npair_half_bin_newton.h
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2021-05-24 14:18:20 -04:00
npair_half_multi_newtoff.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_newtoff.h
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2021-05-24 14:18:20 -04:00
npair_half_multi_newton_tri.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_newton_tri.h
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2021-05-24 14:18:20 -04:00
npair_half_multi_newton.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_newton.h
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npair_half_multi_old_newtoff.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_old_newtoff.h
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npair_half_multi_old_newton_tri.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton_tri.h
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2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton.cpp
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2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton.h
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npair_half_nsq_newtoff_ghost.cpp
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npair_half_nsq_newtoff_ghost.h
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npair_half_nsq_newtoff.cpp
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npair_half_nsq_newtoff.h
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npair_half_nsq_newton.cpp
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npair_half_nsq_newton.h
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npair_half_respa_bin_newtoff.cpp
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npair_half_respa_bin_newtoff.h
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npair_half_respa_bin_newton_tri.cpp
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npair_half_respa_bin_newton_tri.h
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npair_half_respa_bin_newton.cpp
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npair_half_respa_bin_newton.h
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npair_half_respa_nsq_newtoff.cpp
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npair_half_respa_nsq_newtoff.h
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npair_half_respa_nsq_newton.cpp
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npair_half_respa_nsq_newton.h
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npair_half_size_bin_newtoff.cpp
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npair_half_size_bin_newtoff.h
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npair_half_size_bin_newton_tri.cpp
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npair_half_size_bin_newton_tri.h
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npair_half_size_bin_newton.cpp
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npair_half_size_bin_newton.h
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npair_half_size_multi_newtoff.cpp
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npair_half_size_multi_newtoff.h
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npair_half_size_multi_newton_tri.cpp
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npair_half_size_multi_newton_tri.h
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npair_half_size_multi_newton.cpp
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npair_half_size_multi_newton.h
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npair_half_size_multi_old_newtoff.cpp
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npair_half_size_multi_old_newtoff.h
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npair_half_size_multi_old_newton_tri.cpp
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npair_half_size_multi_old_newton_tri.h
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npair_half_size_multi_old_newton.cpp
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npair_half_size_multi_old_newton.h
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npair_half_size_nsq_newtoff.cpp
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npair_half_size_nsq_newtoff.h
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npair_half_size_nsq_newton.cpp
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npair_half_size_nsq_newton.h
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npair_halffull_newtoff.cpp
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npair_halffull_newtoff.h
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npair_halffull_newton.cpp
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npair_halffull_newton.h
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npair_skip_respa.cpp
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npair_skip_respa.h
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npair_skip_size_off2on_oneside.cpp
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npair_skip_size_off2on_oneside.h
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npair_skip_size_off2on.cpp
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npair_skip_size_off2on.h
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npair_skip_size.cpp
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npair_skip_size.h
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npair_skip.cpp
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npair_skip.h
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npair.cpp
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npair.h
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nstencil_full_bin_2d.cpp
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nstencil_full_bin_2d.h
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nstencil_full_bin_3d.cpp
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nstencil_full_bin_3d.h
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nstencil_full_ghost_bin_2d.cpp
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nstencil_full_ghost_bin_2d.h
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nstencil_full_ghost_bin_3d.cpp
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nstencil_full_ghost_bin_3d.h
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nstencil_full_multi_2d.cpp
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nstencil_full_multi_2d.h
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nstencil_full_multi_3d.cpp
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nstencil_full_multi_3d.h
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nstencil_full_multi_old_2d.cpp
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nstencil_full_multi_old_2d.h
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nstencil_full_multi_old_3d.cpp
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nstencil_full_multi_old_3d.h
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nstencil_half_bin_2d_tri.cpp
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nstencil_half_bin_2d_tri.h
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nstencil_half_bin_2d.cpp
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nstencil_half_bin_2d.h
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nstencil_half_bin_3d_tri.cpp
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nstencil_half_bin_3d_tri.h
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nstencil_half_bin_3d.cpp
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nstencil_half_bin_3d.h
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nstencil_half_multi_2d_tri.cpp
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nstencil_half_multi_2d_tri.h
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nstencil_half_multi_2d.cpp
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nstencil_half_multi_2d.h
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nstencil_half_multi_3d_tri.cpp
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nstencil_half_multi_3d_tri.h
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nstencil_half_multi_3d.cpp
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nstencil_half_multi_3d.h
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nstencil_half_multi_old_2d_tri.cpp
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nstencil_half_multi_old_2d_tri.h
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nstencil_half_multi_old_2d.cpp
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nstencil_half_multi_old_2d.h
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nstencil_half_multi_old_3d_tri.cpp
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nstencil_half_multi_old_3d_tri.h
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nstencil_half_multi_old_3d.cpp
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nstencil_half_multi_old_3d.h
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nstencil.cpp
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nstencil.h
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ntopo_angle_all.cpp
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ntopo_angle_all.h
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ntopo_angle_partial.cpp
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ntopo_angle_partial.h
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ntopo_angle_template.cpp
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ntopo_angle_template.h
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ntopo_bond_all.cpp
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ntopo_bond_all.h
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ntopo_bond_partial.cpp
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ntopo_bond_partial.h
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ntopo_bond_template.cpp
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ntopo_bond_template.h
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ntopo_dihedral_all.cpp
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ntopo_dihedral_all.h
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ntopo_dihedral_partial.cpp
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ntopo_dihedral_partial.h
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ntopo_dihedral_template.cpp
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ntopo_dihedral_template.h
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ntopo_improper_all.cpp
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ntopo_improper_all.h
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ntopo_improper_partial.cpp
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ntopo_improper_partial.h
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ntopo_improper_template.cpp
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ntopo_improper_template.h
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ntopo.cpp
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ntopo.h
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omp_compat.h
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output.cpp
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output.h
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pack.h
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Package.sh
…
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_wolf.cpp
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pair_coul_wolf.h
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pair_deprecated.cpp
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pair_deprecated.h
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pair_hybrid_overlay.cpp
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pair_hybrid_overlay.h
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pair_hybrid_scaled.cpp
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pair_hybrid_scaled.h
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pair_hybrid.cpp
Merge branch 'master' into refactor-reaxff-parser
2021-07-21 00:30:53 -04:00
pair_hybrid.h
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2021-05-24 14:18:20 -04:00
pair_lj_cut_coul_cut.cpp
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pair_lj_cut_coul_cut.h
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pair_lj_cut.cpp
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pair_lj_cut.h
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pair_lj_expand.cpp
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pair_lj_expand.h
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pair_morse.cpp
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2021-05-24 14:18:20 -04:00
pair_morse.h
need to make this functions virtual since they are overridded by morse/soft
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pair_soft.cpp
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pair_soft.h
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pair_table.cpp
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
pair_table.h
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pair_yukawa.cpp
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pair_yukawa.h
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pair_zbl_const.h
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pair_zbl.cpp
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pair_zbl.h
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pair_zero.cpp
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pair_zero.h
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2021-05-24 14:18:20 -04:00
pair.cpp
fix whitespace
2021-07-12 16:23:45 -04:00
pair.h
recover virial and nofdotr related changes by @athomps and @akohlmey
2021-07-12 15:58:27 -04:00
pointers.h
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potential_file_reader.cpp
reformat with clang-format
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potential_file_reader.h
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procmap.cpp
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procmap.h
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Purge.list
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
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
Use latest versions in master branch
2021-07-15 13:53:15 +01:00
read_data.h
Use latest versions in master branch
2021-07-15 13:53:15 +01:00
read_dump.cpp
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read_dump.h
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read_restart.cpp
modernize and simplify code to find best matching restart file
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read_restart.h
modernize and simplify code to find best matching restart file
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reader_native.cpp
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reader_native.h
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reader_xyz.cpp
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reader_xyz.h
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reader.cpp
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reader.h
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region_block.cpp
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region_block.h
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region_cone.cpp
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region_cone.h
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region_cylinder.cpp
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region_cylinder.h
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region_deprecated.cpp
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region_deprecated.h
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region_intersect.cpp
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region_intersect.h
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region_plane.cpp
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region_plane.h
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region_prism.cpp
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region_prism.h
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region_sphere.cpp
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region_sphere.h
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region_union.cpp
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region_union.h
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region.cpp
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region.h
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replicate.cpp
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replicate.h
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rerun.cpp
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rerun.h
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reset_atom_ids.cpp
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reset_atom_ids.h
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reset_mol_ids.cpp
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reset_mol_ids.h
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respa.cpp
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respa.h
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run.cpp
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run.h
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set.cpp
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set.h
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special.cpp
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special.h
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suffix.h
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table_file_reader.cpp
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2021-05-24 14:18:20 -04:00
table_file_reader.h
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2021-05-24 14:18:20 -04:00
tabular_function.cpp
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2021-05-24 14:18:20 -04:00
tabular_function.h
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2021-05-24 14:18:20 -04:00
text_file_reader.cpp
reformat with clang-format
2021-07-20 18:31:52 -04:00
text_file_reader.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
thermo.cpp
move data type enum to header so it can be used in dump netcdf
2021-07-18 17:41:14 -04:00
thermo.h
move data type enum to header so it can be used in dump netcdf
2021-07-18 17:41:14 -04:00
timer.cpp
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2021-05-24 14:18:20 -04:00
timer.h
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tokenizer.cpp
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tokenizer.h
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universe.cpp
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2021-05-24 14:18:20 -04:00
universe.h
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2021-05-24 14:18:20 -04:00
update.cpp
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2021-05-24 14:18:20 -04:00
update.h
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2021-05-24 14:18:20 -04:00
utils.cpp
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2021-05-24 14:18:20 -04:00
utils.h
fix typo
2021-07-29 11:48:24 -04:00
variable.cpp
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2021-05-24 14:18:20 -04:00
variable.h
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velocity.cpp
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2021-05-24 14:18:20 -04:00
velocity.h
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verlet.cpp
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2021-05-24 14:18:20 -04:00
verlet.h
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2021-05-24 14:18:20 -04:00
version.h
step version number strings for the next patch release
2021-07-26 23:09:18 -04:00
write_coeff.cpp
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2021-05-24 14:18:20 -04:00
write_coeff.h
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2021-05-24 14:18:20 -04:00
write_data.cpp
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2021-05-24 14:18:20 -04:00
write_data.h
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2021-05-24 14:18:20 -04:00
write_dump.cpp
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2021-05-24 14:18:20 -04:00
write_dump.h
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2021-05-24 14:18:20 -04:00
write_restart.cpp
simplify
2021-07-19 01:02:06 -04:00
write_restart.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00