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Axel Kohlmeyer f1cc6c6e57 Merge pull request #1928 from akohlmey/collected-small-fixes 
Collected small fixes and updates for the next patch release
2020-03-13 19:44:04 -04:00
..
ASPHERE
merged in current master
2020-01-13 10:34:31 -07:00
BODY
merged in current master
2020-01-13 10:34:31 -07:00
CLASS2
merged in current master
2020-01-13 10:34:31 -07:00
COLLOID
Revert "fix bug in pair styles lubricate and lubricate/poly"
2020-03-13 18:41:37 -04:00
COMPRESS
merged in current master
2020-01-13 10:34:31 -07:00
CORESHELL
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
DEPEND
…
DIPOLE
merged in current master
2020-01-13 10:34:31 -07:00
GPU
make sure coulomb tables are initialized in all coul/long GPU pair styles
2020-02-14 15:50:49 -05:00
GRANULAR
merged in current master
2020-01-13 10:34:31 -07:00
KIM
make forward declaration consistent with KIM-API code
2020-03-11 19:05:04 -04:00
KOKKOS
whitespace fixes
2020-03-10 15:18:00 -04:00
KSPACE
initialize cut_respa to NULL in constructor to avoid uninitialized access
2020-02-14 15:51:38 -05:00
LATTE
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
MAKE
Add cuFFT to Makefile.lassen_kokkos and generalize MPI path
2020-01-24 13:56:00 -07:00
MANYBODY
don't run atof() on a NULL pointer in case a potential file has an empty line
2020-03-04 14:00:52 -05:00
MC
merged in current master
2020-01-13 10:34:31 -07:00
MESSAGE
include required header
2020-03-12 06:59:04 -04:00
MISC
Update DOI resolver
2020-03-12 16:53:24 +09:00
MOLECULE
merged in current master
2020-01-13 10:34:31 -07:00
MPIIO
some cleanup for missed steps in previous change sets
2019-07-12 16:37:01 -04:00
MSCG
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
OPT
merged in current master
2020-01-13 10:34:31 -07:00
PERI
merged in current master
2020-01-13 10:34:31 -07:00
POEMS
correct forward declaration of POEMS workspace class
2019-07-22 14:36:09 -04:00
PYTHON
merged in current master
2020-01-13 10:34:31 -07:00
QEQ
merged in current master
2020-01-13 10:34:31 -07:00
REPLICA
update the internal timeout clock across replica when we stop parallel tempering
2020-02-23 05:09:25 -05:00
RIGID
restore accidentally renamed keyword
2020-01-17 12:17:47 -05:00
SHOCK
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
SNAP
Keep original chunksize value set by user in case atom count changes
2020-02-26 09:42:59 -07:00
SPIN
merged in current master
2020-01-13 10:34:31 -07:00
SRD
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
STUBS
merged in current master
2020-01-13 10:34:31 -07:00
USER-ADIOS
Added 'timeout <value>' option to the adios reader, so that a rerun can concurrently run with the first simulation
2020-01-20 15:52:21 -05:00
USER-ATC
merged in current master
2020-01-13 10:34:31 -07:00
USER-AWPMD
merged in current master
2020-01-13 10:34:31 -07:00
USER-BOCS
Changed the code in the read_F_table function to conform to the "expected behavior" description in #1572. Adopted a best-of-both-worlds approach, though, and processed the whole input file all the way through, emitting a message for each problem found, before issuing a final error message to stop processing. Updated doc to clarify requirement for uniform spacing of pressure correction points.
2019-08-02 08:46:04 -04:00
USER-CGDNA
Increased tolerance for fatal error in FENE bond argument
2020-01-24 14:19:18 +00:00
USER-CGSDK
merged in current master
2020-01-13 10:34:31 -07:00
USER-COLVARS
Update DOI resolver
2020-03-12 16:53:24 +09:00
USER-DIFFRACTION
merged in current master
2020-01-13 10:34:31 -07:00
USER-DPD
merged in current master
2020-01-13 10:34:31 -07:00
USER-DRUDE
need to set single_enable to 0 after single() was removed
2020-02-26 12:58:10 +01:00
USER-EFF
merged in current master
2020-01-13 10:34:31 -07:00
USER-FEP
merged in current master
2020-01-13 10:34:31 -07:00
USER-H5MD
silence compiler warning about unused parameter
2018-11-28 22:20:42 -05:00
USER-INTEL
restore support for triclinic cells with pppm/intel by calling the corresponding functions in PPPM in that case
2020-03-13 16:01:00 -04:00
USER-LB
more include handling cleanup in USER packages
2019-07-12 18:00:59 -04:00
USER-MANIFOLD
continuing include file handling cleanup
2019-07-10 08:49:16 -04:00
USER-MEAMC
replace (evil) tabs with blanks
2020-01-14 15:08:56 -05:00
USER-MESODPD
rename USER-MESO package to USER-MESODPD and update related files and folders
2020-03-09 09:48:49 -04:00
USER-MGPT
more include handling cleanup in USER packages
2019-07-12 18:00:59 -04:00
USER-MISC
Update DOI resolver
2020-03-12 16:53:24 +09:00
USER-MOFFF
merged in current master
2020-01-13 10:34:31 -07:00
USER-MOLFILE
revert reformatting of unrelated file
2020-01-20 09:20:42 -05:00
USER-NETCDF
MAINT: Replaced special character with a space.
2019-01-23 11:29:49 +01:00
USER-OMP
Added safeguard to thole pair styles
2020-02-25 16:50:49 +01:00
USER-PHONON
merged in current master
2020-01-13 10:34:31 -07:00
USER-PLUMED
update plumed support to include version 2.6.0. Fix bug in API check
2020-02-13 16:03:58 +01:00
USER-PTM
more strict argument checking and initializing output data to zero
2020-02-26 13:12:39 +01:00
USER-QMMM
…
USER-QTB
fix up some leftover include issues that got overlooked in previous changes
2019-07-11 07:22:41 -04:00
USER-QUIP
whitespace cleanup
2019-05-29 14:42:18 -04:00
USER-REACTION
bond/react: docs tweak
2020-02-26 20:08:58 -07:00
USER-REAXC
merged in current master
2020-01-13 10:34:31 -07:00
USER-SCAFACOS
use ev_init for kspace
2019-03-13 17:55:30 +01:00
USER-SDPD
add check for required atom properties to USER-SDPD
2020-02-25 14:08:55 +01:00
USER-SMD
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
USER-SMTBQ
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
USER-SPH
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
USER-TALLY
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
USER-UEF
fix up some leftover include issues that got overlooked in previous changes
2019-07-11 07:22:41 -04:00
USER-VTK
merged in current master
2020-01-13 10:34:31 -07:00
USER-YAFF
Update DOI resolver
2020-03-12 16:53:24 +09:00
VORONOI
complete cleaning includes in some more packages
2019-07-08 16:45:21 -04:00
.gitignore
Merge pull request #1096 from ProfessorMiller/master
2020-01-15 17:35:03 -05:00
accelerator_kokkos.h
Finalize Kokkos on error exit
2020-02-27 08:51:02 -07:00
accelerator_omp.h
Fix USER-OMP compilation with CMake
2018-08-27 22:11:15 -04:00
angle_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
angle_deprecated.h
implement deprecated styles for bond, angle, dihedral, and improper
2018-10-17 16:26:20 -04:00
angle_hybrid.cpp
merged in current master
2020-01-13 10:34:31 -07:00
angle_hybrid.h
headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
2019-06-27 10:12:53 -04:00
angle_zero.cpp
merged in current master
2020-01-13 10:34:31 -07:00
angle_zero.h
headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
2019-06-27 10:12:53 -04:00
angle.cpp
merged in current master
2020-01-13 10:34:31 -07:00
angle.h
merged in current master
2020-01-13 10:34:31 -07:00
atom_map.cpp
merged in current master
2020-01-13 10:34:31 -07:00
atom_map.h
…
atom_masks.h
…
atom_vec_atomic.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_atomic.h
…
atom_vec_body.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_body.h
some more include file consistency changes
2019-06-27 17:11:53 -04:00
atom_vec_charge.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_charge.h
…
atom_vec_ellipsoid.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 17:57:58 -04:00
atom_vec_ellipsoid.h
make nlocal_bonus accessible
2019-02-17 17:14:01 -05:00
atom_vec_hybrid.cpp
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
atom_vec_hybrid.h
more header cleanup
2019-06-27 20:52:23 -04:00
atom_vec_line.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_line.h
make nlocal_bonus accessible
2019-02-17 17:14:01 -05:00
atom_vec_sphere.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_sphere.h
…
atom_vec_tri.cpp
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_tri.h
make nlocal_bonus accessible
2019-02-17 17:14:01 -05:00
atom_vec.cpp
remove trailing whitespace
2020-01-21 15:46:28 -05:00
atom_vec.h
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
2020-01-21 13:31:47 -07:00
atom.cpp
add check for required atom properties to USER-SDPD
2020-02-25 14:08:55 +01:00
atom.h
merged in current master
2020-01-13 10:34:31 -07:00
balance.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
balance.h
some more include file consistency changes
2019-06-27 17:11:53 -04:00
body.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
body.h
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
bond_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
bond_deprecated.h
implement deprecated styles for bond, angle, dihedral, and improper
2018-10-17 16:26:20 -04:00
bond_hybrid.cpp
merged in current master
2020-01-13 10:34:31 -07:00
bond_hybrid.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
bond_zero.cpp
merged in current master
2020-01-13 10:34:31 -07:00
bond_zero.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
bond.cpp
merged in current master
2020-01-13 10:34:31 -07:00
bond.h
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
change_box.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
change_box.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
citeme.cpp
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
citeme.h
more header cleanup
2019-06-27 20:52:23 -04:00
comm_brick.cpp
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
comm_brick.h
more robust version of atom exchange size
2019-07-09 16:17:54 -06:00
comm_tiled.cpp
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
comm_tiled.h
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
2019-08-13 11:04:13 -04:00
comm.cpp
print warning about adjusting the communication cutoff only during integrator or minimizer setup phase
2020-01-20 16:23:26 -05:00
comm.h
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
compute_adf.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_adf.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
compute_aggregate_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_aggregate_atom.h
…
compute_angle_local.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_angle_local.h
add variable option to compute bond/angle/dihedral local
2018-09-04 14:48:44 -06:00
compute_angle.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_angle.h
…
compute_angmom_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_angmom_chunk.h
…
compute_bond_local.cpp
merged in current master
2020-01-13 10:34:31 -07:00
compute_bond_local.h
add variable option to compute bond/angle/dihedral local
2018-09-04 14:48:44 -06:00
compute_bond.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_bond.h
…
compute_centro_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_centro_atom.h
…
compute_centroid_stress_atom.cpp
merged in current master
2020-01-13 10:34:31 -07:00
compute_centroid_stress_atom.h
merged in current master
2020-01-13 10:34:31 -07:00
compute_chunk_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_chunk_atom.h
…
compute_chunk_spread_atom.cpp
Merge branch 'master' into collected-small-changes
2019-07-30 14:14:11 -04:00
compute_chunk_spread_atom.h
avoid class initialization order warnings
2018-09-10 22:32:56 -04:00
compute_cluster_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_cluster_atom.h
…
compute_cna_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_cna_atom.h
…
compute_com_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_com_chunk.h
…
compute_com.cpp
make certain that the vector storage and the size_vector variable are consistent in computes
2019-07-01 17:25:02 -04:00
compute_com.h
…
compute_contact_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_contact_atom.h
…
compute_coord_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_coord_atom.h
there really isn't a problem with calling this compute multiple times
2019-05-17 15:26:35 -04:00
compute_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_deprecated.h
add DEPRECATED compute style
2018-10-17 16:05:10 -04:00
compute_dihedral_local.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_dihedral_local.h
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
compute_dihedral.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_dihedral.h
…
compute_dipole_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_dipole_chunk.h
…
compute_displace_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_displace_atom.h
…
compute_erotate_sphere_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_erotate_sphere_atom.h
…
compute_erotate_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_erotate_sphere.h
…
compute_fragment_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_fragment_atom.h
…
compute_global_atom.cpp
move memory allocation for atom style variable data where it belongs and cannot be skipped
2020-01-22 14:34:12 -05:00
compute_global_atom.h
…
compute_group_group.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_group_group.h
…
compute_gyration_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_gyration_chunk.h
…
compute_gyration.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_gyration.h
…
compute_heat_flux.cpp
merged in current master
2020-01-13 10:34:31 -07:00
compute_heat_flux.h
…
compute_hexorder_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_hexorder_atom.h
…
compute_improper_local.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_improper_local.h
…
compute_improper.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_improper.h
…
compute_inertia_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_inertia_chunk.h
…
compute_ke_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_ke_atom.h
…
compute_ke.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_ke.h
…
compute_msd_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_msd_chunk.h
…
compute_msd.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_msd.h
…
compute_omega_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_omega_chunk.h
…
compute_orientorder_atom.cpp
merged in current master
2020-01-13 10:34:31 -07:00
compute_orientorder_atom.h
Added Wlhat
2019-08-25 12:06:25 -06:00
compute_pair_local.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_pair_local.h
…
compute_pair.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_pair.h
Extend compute pair to handle multiple instances of a given pair style
2018-10-05 20:34:12 +02:00
compute_pe_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_pe_atom.h
…
compute_pe.cpp
Compute pe doesn't touch atom data
2019-09-09 12:29:46 -06:00
compute_pe.h
…
compute_pressure.cpp
Merge pull request #1511 from jdevemy/master
2019-07-29 22:15:20 -04:00
compute_pressure.h
Recheck existence of pair style in init
2019-07-02 16:13:20 +02:00
compute_property_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_property_atom.h
more 'war on tabs'
2019-03-29 10:21:44 -04:00
compute_property_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_property_chunk.h
…
compute_property_local.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_property_local.h
…
compute_rdf.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_rdf.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
compute_reduce_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_reduce_chunk.h
remove trailing whitespace
2018-11-30 08:00:08 -05:00
compute_reduce_region.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_reduce_region.h
…
compute_reduce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_reduce.h
…
compute_slice.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_slice.h
…
compute_stress_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_stress_atom.h
…
compute_temp_chunk.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_chunk.h
…
compute_temp_com.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_com.h
…
compute_temp_deform.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_deform.h
…
compute_temp_partial.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_partial.h
…
compute_temp_profile.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_temp_profile.h
…
compute_temp_ramp.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_ramp.h
…
compute_temp_region.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_region.h
…
compute_temp_sphere.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp_sphere.h
…
compute_temp.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_temp.h
…
compute_torque_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_torque_chunk.h
…
compute_vacf.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
compute_vacf.h
…
compute_vcm_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute_vcm_chunk.h
…
compute.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
compute.h
merged in current master
2020-01-13 10:34:31 -07:00
create_atoms.cpp
Merge remote-tracking branch 'github/master' into Ncreate_atoms
2020-01-21 15:52:01 -05:00
create_atoms.h
remove trailing whitespace
2020-01-21 15:46:28 -05:00
create_bonds.cpp
merged in current master
2020-01-13 10:34:31 -07:00
create_bonds.h
merged in current master
2020-01-13 10:34:31 -07:00
create_box.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
create_box.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
delete_atoms.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
delete_atoms.h
…
delete_bonds.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
delete_bonds.h
…
Depend.sh
first commit: added SDPD
2018-10-30 17:40:00 +03:30
deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
deprecated.h
make default style name for deprecated styles uppercase, so it is considered internal
2018-10-17 16:04:52 -04:00
dihedral_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dihedral_deprecated.h
implement deprecated styles for bond, angle, dihedral, and improper
2018-10-17 16:26:20 -04:00
dihedral_hybrid.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dihedral_hybrid.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral_zero.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dihedral_zero.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
dihedral.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dihedral.h
merged in current master
2020-01-13 10:34:31 -07:00
displace_atoms.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
displace_atoms.h
…
domain.cpp
merged in current master
2020-01-13 10:34:31 -07:00
domain.h
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
dump_atom.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dump_atom.h
…
dump_cfg.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_cfg.h
…
dump_custom.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dump_custom.h
…
dump_dcd.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_dcd.h
…
dump_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_deprecated.h
add deprecated dump and region styles
2018-10-17 18:13:12 -04:00
dump_image.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_image.h
…
dump_local.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dump_local.h
merged in current master
2020-01-13 10:34:31 -07:00
dump_movie.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_movie.h
…
dump_xyz.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
dump_xyz.h
…
dump.cpp
merged in current master
2020-01-13 10:34:31 -07:00
dump.h
merged in current master
2020-01-13 10:34:31 -07:00
error.cpp
Finalize Kokkos on error exit
2020-02-27 08:51:02 -07:00
error.h
…
exceptions.h
…
finish.cpp
some cleanup for missed steps in previous change sets
2019-07-12 16:37:01 -04:00
finish.h
…
fix_adapt.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_adapt.h
…
fix_addforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_addforce.h
…
fix_ave_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_ave_atom.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_ave_chunk.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_ave_chunk.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_ave_correlate.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_ave_correlate.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_ave_histo_weight.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_ave_histo_weight.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_ave_histo.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_ave_histo.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_ave_time.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_ave_time.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_aveforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_aveforce.h
…
fix_balance.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_balance.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_box_relax.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_box_relax.h
…
fix_controller.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_controller.h
…
fix_deform.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_deform.h
…
fix_deprecated.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_deprecated.h
make default style name for deprecated styles uppercase, so it is considered internal
2018-10-17 16:04:52 -04:00
fix_drag.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_drag.h
…
fix_dt_reset.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_dt_reset.h
Limit atom energy change in fix dt/reset
2018-05-28 10:57:40 +03:00
fix_enforce2d.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_enforce2d.h
Forgot to include change in fix_enforce2d to access fixlist in kokkos port.
2018-06-29 11:58:27 -04:00
fix_external.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_external.h
…
fix_gravity.cpp
silence compiler warning
2020-01-20 07:06:00 -05:00
fix_gravity.h
merged in current master
2020-01-13 10:34:31 -07:00
fix_group.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_group.h
…
fix_halt.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_halt.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_heat.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_heat.h
…
fix_indent.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_indent.h
…
fix_langevin.cpp
Add unit conversion in setup()
2020-01-22 17:13:10 +01:00
fix_langevin.h
merged in current master
2020-01-13 10:34:31 -07:00
fix_lineforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_lineforce.h
…
fix_minimize.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_minimize.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_momentum.h
…
fix_move.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_move.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_neigh_history.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_neigh_history.h
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
fix_nh_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nh_sphere.h
…
fix_nh.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nh.h
remove cauchystat changes from fix_nh.cpp/.h/.txt (again). delete misplaced example that came back from the dead, too.
2018-11-14 17:22:31 -05:00
fix_nph_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nph_sphere.h
…
fix_nph.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nph.h
…
fix_npt_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_npt_sphere.h
…
fix_npt.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_npt.h
…
fix_nve_limit.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nve_limit.h
…
fix_nve_noforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nve_noforce.h
…
fix_nve_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nve_sphere.h
…
fix_nve.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nve.h
…
fix_nvt_sllod.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nvt_sllod.h
…
fix_nvt_sphere.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nvt_sphere.h
…
fix_nvt.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_nvt.h
…
fix_planeforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_planeforce.h
…
fix_press_berendsen.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_press_berendsen.h
…
fix_print.cpp
merged in current master
2020-01-13 10:34:31 -07:00
fix_print.h
merged in current master
2020-01-13 10:34:31 -07:00
fix_property_atom.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_property_atom.h
…
fix_read_restart.cpp
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
fix_read_restart.h
…
fix_recenter.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_recenter.h
…
fix_respa.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_respa.h
…
fix_restrain.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_restrain.h
forgot to reduce energies
2018-05-08 10:46:41 +02:00
fix_setforce.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_setforce.h
…
fix_spring_chunk.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_spring_chunk.h
…
fix_spring_rg.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_spring_rg.h
…
fix_spring_self.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_spring_self.h
…
fix_spring.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_spring.h
…
fix_store_force.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_store_force.h
…
fix_store_state.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_store_state.h
…
fix_store.cpp
sync with master
2020-01-14 10:40:05 -07:00
fix_store.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_temp_berendsen.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_temp_berendsen.h
…
fix_temp_csld.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_temp_csld.h
…
fix_temp_csvr.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_temp_csvr.h
…
fix_temp_rescale.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_temp_rescale.h
…
fix_tmd.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 17:57:58 -04:00
fix_tmd.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
fix_vector.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_vector.h
…
fix_viscous.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_viscous.h
…
fix_wall_harmonic.cpp
more include file cleanup
2019-06-30 15:53:17 -04:00
fix_wall_harmonic.h
…
fix_wall_lj93.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_wall_lj93.h
…
fix_wall_lj126.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_wall_lj126.h
…
fix_wall_lj1043.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
fix_wall_lj1043.h
…
fix_wall_morse.cpp
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
fix_wall_morse.h
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
fix_wall_reflect.cpp
silence compiler warning
2020-01-20 07:06:49 -05:00
fix_wall_reflect.h
fix whitespace issues
2020-01-13 22:47:06 -05:00
fix_wall_region.cpp
Commit before changing branches.
2020-01-10 11:31:21 +01:00
fix_wall_region.h
Added a Morse potential option to 'fix wall/region'
2019-02-21 01:49:04 +01:00
fix_wall.cpp
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
fix_wall.h
implement fix wall/morse based on fix wall/region and fix wall/harmonic
2019-08-21 16:00:14 -04:00
fix.cpp
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
fix.h
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
force.cpp
merged in current master
2020-01-13 10:34:31 -07:00
force.h
merged in current master
2020-01-13 10:34:31 -07:00
group.cpp
merged in current master
2020-01-13 10:34:31 -07:00
group.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
hashlittle.cpp
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
hashlittle.h
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
image.cpp
avoid segfault
2020-01-22 12:41:59 -05:00
image.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
imbalance_group.cpp
…
imbalance_group.h
…
imbalance_neigh.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
imbalance_neigh.h
…
imbalance_store.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
imbalance_store.h
…
imbalance_time.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
imbalance_time.h
…
imbalance_var.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
imbalance_var.h
…
imbalance.cpp
…
imbalance.h
more include file cleanup
2019-06-30 15:53:17 -04:00
improper_deprecated.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
improper_deprecated.h
implement deprecated styles for bond, angle, dihedral, and improper
2018-10-17 16:26:20 -04:00
improper_hybrid.cpp
merged in current master
2020-01-13 10:34:31 -07:00
improper_hybrid.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
improper_zero.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
improper_zero.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
improper.cpp
merged in current master
2020-01-13 10:34:31 -07:00
improper.h
merged in current master
2020-01-13 10:34:31 -07:00
info.cpp
merged in current master
2020-01-13 10:34:31 -07:00
info.h
merged in current master
2020-01-13 10:34:31 -07:00
input.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
input.h
merged in current master
2020-01-13 10:34:31 -07:00
Install.sh
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
integrate.cpp
merged in current master
2020-01-13 10:34:31 -07:00
integrate.h
merged in current master
2020-01-13 10:34:31 -07:00
irregular.cpp
Merge pull request #1556 from lammps/bug-maxexchange
2019-07-30 17:09:18 -04:00
irregular.h
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
2019-08-13 11:04:13 -04:00
kspace_deprecated.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
kspace_deprecated.h
fix some typos caused by trusting emacs' smart case-preserving replace too much
2018-10-19 16:11:13 -04:00
kspace.cpp
switch OpenMP pragma to default(shared), so it is compatible with all OpenMP standard versions
2020-01-31 08:32:14 -05:00
kspace.h
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
lammps.cpp
merged in current master
2020-01-13 10:34:31 -07:00
lammps.h
lammps.h must include cstdio and mpi.h
2019-06-27 22:14:06 -04:00
lattice.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
lattice.h
…
library.cpp
provide access to number of local data rows for fixes
2020-03-07 10:58:35 -05:00
library.h
add example to COUPLE folder demonstrating loading LAMMPS as a plugin.
2020-02-25 19:07:49 +01:00
lmppython.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
lmppython.h
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
lmptype.h
require C++11 to compile LAMMPS
2020-03-04 14:28:47 -05:00
lmpwindows.h
fix typo
2019-05-30 18:36:09 -04:00
main.cpp
correct compilation error with exceptions enabled in main.cpp
2019-08-01 08:14:27 -04:00
Make.sh
add support for creating packages_*.h files in conventional make
2019-04-07 20:52:15 -04:00
Makefile
rename USER-MESO package to USER-MESODPD and update related files and folders
2020-03-09 09:48:49 -04:00
Makefile.list
rollback unneeded change to Makefile.list per review
2019-06-21 15:50:52 +01:00
Makefile.package.empty
…
Makefile.package.settings.empty
…
Makefile.print
add "make mode=print <machine>" to print out compiler and linker flags and libs for any available makefile
2020-02-19 18:11:34 +01:00
math_complex.h
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
math_const.h
…
math_extra.cpp
Revert "new versions of jacobi() method"
2019-07-26 09:38:32 -04:00
math_extra.h
move functions in MathExtra namespace to math_extra.h header file
2020-01-15 13:42:14 -05:00
math_special.cpp
merged in current master
2020-01-13 10:34:31 -07:00
math_special.h
…
math_vector.h
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
memory.cpp
add missing include for compiling with intel compilers without TBB
2019-09-13 09:47:02 -04:00
memory.h
more include file cleanup
2019-06-30 15:53:17 -04:00
mergesort.h
apply fix for merge sort from issue #1163 by @jtfrey and re-enable it
2018-10-23 08:57:33 -04:00
min_cg.cpp
silence compiler warning and provide extra comment about optimization
2020-03-09 09:17:49 -04:00
min_cg.h
…
min_fire_old.cpp
Change fire to fire/old and fire2 to fire. Implement normstyle in fire. Update author affiliation.
2020-01-28 14:51:23 +01:00
min_fire_old.h
Change fire to fire/old and fire2 to fire. Implement normstyle in fire. Update author affiliation.
2020-01-28 14:51:23 +01:00
min_fire.cpp
whitespace fix
2020-03-11 09:08:40 -04:00
min_fire.h
special v evaluation to limite dtv each time v is zeroed
2020-03-05 11:39:48 +01:00
min_hftn.cpp
merged in current master
2020-01-13 10:34:31 -07:00
min_hftn.h
…
min_linesearch.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
min_linesearch.h
…
min_quickmin.cpp
merged in current master
2020-01-13 10:34:31 -07:00
min_quickmin.h
…
min_sd.cpp
merged in current master
2020-01-13 10:34:31 -07:00
min_sd.h
…
min.cpp
remove trailing whitespace
2020-01-30 17:02:06 -05:00
min.h
remove trailing whitespace
2020-01-30 17:02:06 -05:00
minimize.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
minimize.h
…
modify.cpp
reset Modify::n_timeflag in post_run() so we won't skip computes defined between runs
2020-02-11 00:30:09 -05:00
modify.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
molecule.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
molecule.h
…
mpiio.h
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
my_page.h
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
2019-04-01 17:51:53 -04:00
my_pool_chunk.h
apply memory alignment settings from my_page.h to my_pool_chunk.h
2019-06-27 00:39:47 -04:00
nbin_standard.cpp
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
nbin_standard.h
…
nbin.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
nbin.h
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
2019-07-09 09:43:50 -06:00
neigh_list.cpp
merged in current master
2020-01-13 10:34:31 -07:00
neigh_list.h
merged in current master
2020-01-13 10:34:31 -07:00
neigh_request.cpp
…
neigh_request.h
…
neighbor.cpp
remove dead code
2020-01-29 14:34:03 -05:00
neighbor.h
remove dead code
2020-01-29 14:34:03 -05:00
npair_copy.cpp
more include file cleanup
2019-06-30 15:53:17 -04:00
npair_copy.h
…
npair_full_bin_atomonly.cpp
more include file cleanup
2019-06-30 15:53:17 -04:00
npair_full_bin_atomonly.h
…
npair_full_bin_ghost.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_full_bin_ghost.h
…
npair_full_bin.cpp
more include file cleanup
2019-06-30 15:53:17 -04:00
npair_full_bin.h
…
npair_full_multi.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_full_multi.h
…
npair_full_nsq_ghost.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_full_nsq_ghost.h
…
npair_full_nsq.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_full_nsq.h
…
npair_half_bin_atomonly_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_bin_atomonly_newton.h
…
npair_half_bin_newtoff_ghost.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_bin_newtoff_ghost.h
…
npair_half_bin_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_bin_newtoff.h
…
npair_half_bin_newton_tri.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_bin_newton_tri.h
…
npair_half_bin_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_bin_newton.h
…
npair_half_multi_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_multi_newtoff.h
…
npair_half_multi_newton_tri.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_multi_newton_tri.h
…
npair_half_multi_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_multi_newton.h
…
npair_half_nsq_newtoff_ghost.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_nsq_newtoff_ghost.h
…
npair_half_nsq_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_nsq_newtoff.h
…
npair_half_nsq_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_nsq_newton.h
…
npair_half_respa_bin_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_respa_bin_newtoff.h
…
npair_half_respa_bin_newton_tri.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_respa_bin_newton_tri.h
…
npair_half_respa_bin_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_respa_bin_newton.h
…
npair_half_respa_nsq_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_respa_nsq_newtoff.h
…
npair_half_respa_nsq_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_respa_nsq_newton.h
…
npair_half_size_bin_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_size_bin_newtoff.h
…
npair_half_size_bin_newton_tri.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_size_bin_newton_tri.h
…
npair_half_size_bin_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_size_bin_newton.h
…
npair_half_size_nsq_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_size_nsq_newtoff.h
…
npair_half_size_nsq_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_half_size_nsq_newton.h
…
npair_halffull_newtoff.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_halffull_newtoff.h
…
npair_halffull_newton.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_halffull_newton.h
…
npair_skip_respa.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
npair_skip_respa.h
…
npair_skip_size_off2on_oneside.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
npair_skip_size_off2on_oneside.h
…
npair_skip_size_off2on.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
npair_skip_size_off2on.h
…
npair_skip_size.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
npair_skip_size.h
…
npair_skip.cpp
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
npair_skip.h
…
npair.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
npair.h
…
nstencil_full_bin_2d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_bin_2d.h
…
nstencil_full_bin_3d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_bin_3d.h
…
nstencil_full_ghost_bin_2d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_ghost_bin_2d.h
…
nstencil_full_ghost_bin_3d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_ghost_bin_3d.h
…
nstencil_full_multi_2d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_multi_2d.h
…
nstencil_full_multi_3d.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_full_multi_3d.h
…
nstencil_half_bin_2d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_2d_newtoff.h
…
nstencil_half_bin_2d_newton_tri.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_2d_newton_tri.h
…
nstencil_half_bin_2d_newton.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_2d_newton.h
…
nstencil_half_bin_3d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_3d_newtoff.h
…
nstencil_half_bin_3d_newton_tri.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_3d_newton_tri.h
…
nstencil_half_bin_3d_newton.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_bin_3d_newton.h
…
nstencil_half_ghost_bin_2d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_ghost_bin_2d_newtoff.h
…
nstencil_half_ghost_bin_3d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_ghost_bin_3d_newtoff.h
…
nstencil_half_multi_2d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_2d_newtoff.h
…
nstencil_half_multi_2d_newton_tri.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_2d_newton_tri.h
…
nstencil_half_multi_2d_newton.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_2d_newton.h
…
nstencil_half_multi_3d_newtoff.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_3d_newtoff.h
…
nstencil_half_multi_3d_newton_tri.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_3d_newton_tri.h
…
nstencil_half_multi_3d_newton.cpp
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
nstencil_half_multi_3d_newton.h
…
nstencil.cpp
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
nstencil.h
…
ntopo_angle_all.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_angle_all.h
…
ntopo_angle_partial.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_angle_partial.h
…
ntopo_angle_template.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_angle_template.h
…
ntopo_bond_all.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_bond_all.h
…
ntopo_bond_partial.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_bond_partial.h
…
ntopo_bond_template.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_bond_template.h
…
ntopo_dihedral_all.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_dihedral_all.h
…
ntopo_dihedral_partial.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_dihedral_partial.h
…
ntopo_dihedral_template.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_dihedral_template.h
…
ntopo_improper_all.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_improper_all.h
…
ntopo_improper_partial.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_improper_partial.h
…
ntopo_improper_template.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo_improper_template.h
…
ntopo.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
ntopo.h
move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
2018-05-09 18:11:31 -04:00
output.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
output.h
update manual and headers for updated error message
2019-04-08 07:16:22 -04:00
pack.h
more changes to doc pages and CMakeLists.txt
2018-08-14 15:44:25 -06:00
Package.sh
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
pair_beck.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_beck.h
…
pair_born_coul_dsf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_born_coul_dsf.h
…
pair_born_coul_wolf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_born_coul_wolf.h
…
pair_born.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_born.h
…
pair_buck_coul_cut.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_buck_coul_cut.h
…
pair_buck.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_buck.h
…
pair_coul_cut.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_coul_cut.h
…
pair_coul_debye.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_coul_debye.h
…
pair_coul_dsf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_coul_dsf.h
…
pair_coul_streitz.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
pair_coul_streitz.h
initialize cut_respa to NULL in constructor to avoid uninitialized access
2020-02-14 15:51:38 -05:00
pair_coul_wolf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_coul_wolf.h
…
pair_deprecated.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
pair_deprecated.h
add reax to DEPRECATED pair style and state when it was removed from LAMMPS
2018-12-10 12:11:56 -05:00
pair_dpd_tstat.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_dpd_tstat.h
…
pair_dpd.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_dpd.h
…
pair_gauss.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_gauss.h
…
pair_hybrid_overlay.cpp
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
2019-09-12 12:30:22 -04:00
pair_hybrid_overlay.h
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
2019-09-12 12:30:22 -04:00
pair_hybrid.cpp
must try suffixes when recreating pair hybrid substyles from a restart
2020-03-11 08:45:35 -04:00
pair_hybrid.h
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj96_cut.cpp
initialize cut_respa to NULL in constructor to avoid uninitialized access
2020-02-14 15:51:38 -05:00
pair_lj96_cut.h
…
pair_lj_cubic.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cubic.h
…
pair_lj_cut_coul_cut.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cut_coul_cut.h
…
pair_lj_cut_coul_debye.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cut_coul_debye.h
…
pair_lj_cut_coul_dsf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cut_coul_dsf.h
…
pair_lj_cut_coul_wolf.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cut_coul_wolf.h
…
pair_lj_cut.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_cut.h
…
pair_lj_expand.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_expand.h
…
pair_lj_gromacs_coul_gromacs.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_gromacs_coul_gromacs.h
…
pair_lj_gromacs.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_gromacs.h
…
pair_lj_smooth_linear.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_smooth_linear.h
rename single2nd => single_hessian
2019-07-01 20:44:03 -04:00
pair_lj_smooth.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_lj_smooth.h
…
pair_mie_cut.cpp
initialize cut_respa to NULL in constructor to avoid uninitialized access
2020-02-14 15:51:38 -05:00
pair_mie_cut.h
…
pair_morse.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_morse.h
…
pair_soft.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_soft.h
…
pair_table.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_table.h
…
pair_ufm.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_ufm.h
…
pair_yukawa.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_yukawa.h
…
pair_zbl.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
pair_zbl.h
…
pair_zero.cpp
merged in current master
2020-01-13 10:34:31 -07:00
pair_zero.h
merged in current master
2020-01-13 10:34:31 -07:00
pair.cpp
print warning when using pair_write on EAM pair style
2020-01-16 16:51:32 -05:00
pair.h
merged in current master
2020-01-13 10:34:31 -07:00
pointers.h
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
procmap.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 17:57:58 -04:00
procmap.h
…
Purge.list
add support for creating packages_*.h files in conventional make
2019-04-07 20:52:15 -04:00
random_mars.cpp
reset array size since we don't use the last element anymore
2020-01-31 09:59:35 -05:00
random_mars.h
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
2020-01-21 13:31:47 -07:00
random_park.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
random_park.h
…
rcb.cpp
Merge pull request #1542 from akohlmey/improve-include-consistency
2019-07-29 20:12:41 -04:00
rcb.h
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
2019-08-13 11:04:13 -04:00
read_data.cpp
capitalize comment
2020-01-21 17:57:12 -07:00
read_data.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
read_dump.cpp
change isReaderParallel flag to parallel and generally adapt more to LAMMPS programming style
2020-01-20 09:20:42 -05:00
read_dump.h
change isReaderParallel flag to parallel and generally adapt more to LAMMPS programming style
2020-01-20 09:20:42 -05:00
read_restart.cpp
remove trailing whitespace
2020-01-21 15:46:28 -05:00
read_restart.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
reader_native.cpp
we need more specific matches to correctly handle TIME and TIMESTEP items
2020-02-14 16:07:34 -05:00
reader_native.h
Added the boxinfo argument
2019-07-08 17:25:23 -06:00
reader_xyz.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 17:57:58 -04:00
reader_xyz.h
Added the boxinfo argument
2019-07-08 17:25:23 -06:00
reader.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
reader.h
Added the boxinfo argument
2019-07-08 17:25:23 -06:00
region_block.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_block.h
…
region_cone.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_cone.h
…
region_cylinder.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_cylinder.h
support variables for more region properties
2018-12-13 14:06:12 -05:00
region_deprecated.cpp
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
region_deprecated.h
add deprecated dump and region styles
2018-10-17 18:13:12 -04:00
region_intersect.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_intersect.h
…
region_plane.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_plane.h
…
region_prism.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_prism.h
…
region_sphere.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_sphere.h
support variables for more region properties
2018-12-13 14:06:12 -05:00
region_union.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region_union.h
…
region.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
region.h
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
replicate.cpp
remove trailing whitespace
2020-01-21 15:46:28 -05:00
replicate.h
…
rerun.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
rerun.h
…
reset_ids.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
reset_ids.h
…
respa.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
respa.h
…
run.cpp
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
run.h
…
set.cpp
fix typo in comment
2020-02-14 18:29:11 -05:00
set.h
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
2020-01-21 13:31:47 -07:00
special.cpp
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
special.h
remove trailing whitespace
2019-03-26 11:17:21 -04:00
suffix.h
Increase portability to more C++ compilers
2020-02-14 13:40:31 -05:00
thermo.cpp
Merge branch 'master' into improve-include-consistency
2019-07-09 14:50:00 -04:00
thermo.h
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
timer.cpp
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
timer.h
…
universe.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 17:57:58 -04:00
universe.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
update.cpp
merged in current master
2020-01-13 10:34:31 -07:00
update.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
utils.cpp
merged in current master
2020-01-13 10:34:31 -07:00
utils.h
merged in current master
2020-01-13 10:34:31 -07:00
variable.cpp
better error messages on accessing invalid IDs in variable expressions
2019-08-05 23:17:38 -04:00
variable.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
velocity.cpp
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
velocity.h
…
verlet.cpp
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
verlet.h
…
version.h
step version string for next patch and stable version
2020-03-03 07:25:18 -05:00
write_coeff.cpp
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
write_coeff.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
write_data.cpp
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
write_data.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
write_dump.cpp
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
write_dump.h
update manual and headers for updated error message
2019-04-08 07:16:22 -04:00
write_restart.cpp
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
write_restart.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00