diff --git a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.mo b/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.mo deleted file mode 100644 index f87073181b..0000000000 Binary files a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.mo and /dev/null differ diff --git a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.po b/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.po deleted file mode 100644 index a84221b952..0000000000 --- a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hr/LC_MESSAGES/sphinx.po +++ /dev/null @@ -1,23 +0,0 @@ -# English translations for sphinx_rtd_theme. -# Copyright (C) 2019 ORGANIZATION -# This file is distributed under the same license as the sphinx_rtd_theme -# project. -# FIRST AUTHOR , 2019. -# -# Translators: -# Ivan Bratović, 2022 -# -msgid "" -msgstr "" -"Project-Id-Version: sphinx_rtd_theme 0.4.3.dev0\n" -"Report-Msgid-Bugs-To: EMAIL@ADDRESS\n" -"POT-Creation-Date: 2022-11-04 12:02-0700\n" -"PO-Revision-Date: 2019-07-16 21:44+0000\n" -"Last-Translator: Ivan Bratović, 2022\n" -"Language-Team: Croatian (https://www.transifex.com/readthedocs/teams/101354/hr/)\n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"Generated-By: Babel 2.10.1\n" -"Language: hr\n" -"Plural-Forms: nplurals=3; plural=n%10==1 && n%100!=11 ? 0 : n%10>=2 && n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2;\n" diff --git a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.mo b/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.mo deleted file mode 100644 index 701b175496..0000000000 Binary files a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.mo and /dev/null differ diff --git a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.po b/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.po deleted file mode 100644 index f6545b75c6..0000000000 --- a/doc/utils/sphinx-config/_themes/lammps_theme/locale/hu/LC_MESSAGES/sphinx.po +++ /dev/null @@ -1,23 +0,0 @@ -# English translations for sphinx_rtd_theme. -# Copyright (C) 2019 ORGANIZATION -# This file is distributed under the same license as the sphinx_rtd_theme -# project. -# FIRST AUTHOR , 2019. -# -# Translators: -# Balázs Úr, 2022 -# -msgid "" -msgstr "" -"Project-Id-Version: sphinx_rtd_theme 0.4.3.dev0\n" -"Report-Msgid-Bugs-To: EMAIL@ADDRESS\n" -"POT-Creation-Date: 2022-11-04 12:02-0700\n" -"PO-Revision-Date: 2019-07-16 21:44+0000\n" -"Last-Translator: Balázs Úr, 2022\n" -"Language-Team: Hungarian (https://www.transifex.com/readthedocs/teams/101354/hu/)\n" -"MIME-Version: 1.0\n" -"Content-Type: text/plain; charset=UTF-8\n" -"Content-Transfer-Encoding: 8bit\n" -"Generated-By: Babel 2.10.1\n" -"Language: hu\n" -"Plural-Forms: nplurals=2; plural=(n != 1);\n" diff --git a/lib/kokkos/CHANGELOG.md b/lib/kokkos/CHANGELOG.md index 927d5747c9..34df76a0fd 100644 --- a/lib/kokkos/CHANGELOG.md +++ b/lib/kokkos/CHANGELOG.md @@ -210,22 +210,6 @@ - Make View self-assignment not produce double-free [\#5024](https://github.com/kokkos/kokkos/pull/5024) -## [3.6.01](https://github.com/kokkos/kokkos/tree/3.6.01) (2022-05-23) -[Full Changelog](https://github.com/kokkos/kokkos/compare/3.6.00...3.6.01) - -### Bug Fixes: -- Fix Threads: Fix serial resizing scratch space (3.6.01 cherry-pick) [\#5109](https://github.com/kokkos/kokkos/pull/5109) -- Fix ScatterMin/ScatterMax to use proper atomics (3.6.01 cherry-pick) [\#5046](https://github.com/kokkos/kokkos/pull/5046) -- Fix allocating large Views [\#4907](https://github.com/kokkos/kokkos/pull/4907) -- Fix bounds errors with Kokkos::sort [\#4980](https://github.com/kokkos/kokkos/pull/4980) -- Fix HIP version when printing the configuration [\#4872](https://github.com/kokkos/kokkos/pull/4872) -- Fixed `_CUDA_ARCH__` to `__CUDA_ARCH__` for CUDA LDG [\#4893](https://github.com/kokkos/kokkos/pull/4893) -- Fixed an incorrect struct initialization [\#5028](https://github.com/kokkos/kokkos/pull/5028) -- Fix racing condition in `HIPParallelLaunch` [\#5008](https://github.com/kokkos/kokkos/pull/5008) -- Avoid deprecation warnings with `OpenMPExec::validate_partition` [\#4982](https://github.com/kokkos/kokkos/pull/4982) -- Make View self-assignment not produce double-free [\#5024](https://github.com/kokkos/kokkos/pull/5024) - - ## [3.6.00](https://github.com/kokkos/kokkos/tree/3.6.00) (2022-02-18) [Full Changelog](https://github.com/kokkos/kokkos/compare/3.5.00...3.6.00) diff --git a/src/DIELECTRIC/atom_vec_dielectric.h b/src/DIELECTRIC/atom_vec_dielectric.h index e0549e4f16..28bf7abb33 100644 --- a/src/DIELECTRIC/atom_vec_dielectric.h +++ b/src/DIELECTRIC/atom_vec_dielectric.h @@ -38,8 +38,6 @@ class AtomVecDielectric : virtual public AtomVec { void unpack_restart_init(int) override; int property_atom(const std::string &) override; void pack_property_atom(int, double *, int, int) override; - void pack_data_pre(int) override; - void pack_data_post(int) override; protected: int *num_bond, *num_angle, *num_dihedral, *num_improper; diff --git a/src/ELECTRODE/ewald_electrode.cpp b/src/ELECTRODE/ewald_electrode.cpp index afaf8c7aa9..99266ed450 100644 --- a/src/ELECTRODE/ewald_electrode.cpp +++ b/src/ELECTRODE/ewald_electrode.cpp @@ -419,7 +419,7 @@ void EwaldElectrode::compute(int eflag, int vflag) for (int j = 0; j < 6; j++) vatom[i][j] *= q[i] * qscale; } - boundcorr->compute_corr(qsum, slab_volfactor, eflag_atom, eflag_global, energy, eatom); + boundcorr->compute_corr(qsum, eflag_atom, eflag_global, energy, eatom); } /* ---------------------------------------------------------------------- */ diff --git a/src/ELECTRODE/pppm_electrode.cpp b/src/ELECTRODE/pppm_electrode.cpp index 68b9de4aaa..a2161f18e7 100644 --- a/src/ELECTRODE/pppm_electrode.cpp +++ b/src/ELECTRODE/pppm_electrode.cpp @@ -556,7 +556,7 @@ void PPPMElectrode::compute(int eflag, int vflag) } } - boundcorr->compute_corr(qsum, slab_volfactor, eflag_atom, eflag_global, energy, eatom); + boundcorr->compute_corr(qsum, eflag_atom, eflag_global, energy, eatom); compute_vector_called = false; } diff --git a/src/ELECTRODE/slab_2d.cpp b/src/ELECTRODE/slab_2d.cpp index fa644a045d..f38f22617d 100644 --- a/src/ELECTRODE/slab_2d.cpp +++ b/src/ELECTRODE/slab_2d.cpp @@ -34,8 +34,8 @@ using namespace MathConst; ------------------------------------------------------------------------- */ Slab2d::Slab2d(LAMMPS *lmp) : BoundaryCorrection(lmp){}; -void Slab2d::compute_corr(double /*qsum*/, double /*slab_volfactor*/, int eflag_atom, - int eflag_global, double &energy, double *eatom) +void Slab2d::compute_corr(double /*qsum*/, int eflag_atom, int eflag_global, double &energy, + double *eatom) { double *q = atom->q; double **x = atom->x; diff --git a/src/ELECTRODE/slab_2d.h b/src/ELECTRODE/slab_2d.h index 53bf57329d..544602cfab 100644 --- a/src/ELECTRODE/slab_2d.h +++ b/src/ELECTRODE/slab_2d.h @@ -27,7 +27,7 @@ class Slab2d : public BoundaryCorrection { Slab2d(LAMMPS *); void vector_corr(double *, int, int, bool) override; void matrix_corr(bigint *, double **) override; - void compute_corr(double, double, int, int, double &, double *) override; + void compute_corr(double, int, int, double &, double *) override; void setup(double); }; diff --git a/src/ELECTRODE/slab_dipole.h b/src/ELECTRODE/slab_dipole.h index 677f71dd50..baa5fb5a4b 100644 --- a/src/ELECTRODE/slab_dipole.h +++ b/src/ELECTRODE/slab_dipole.h @@ -27,7 +27,7 @@ class SlabDipole : public BoundaryCorrection { SlabDipole(LAMMPS *); void vector_corr(double *, int, int, bool); void matrix_corr(bigint *, double **); - void compute_corr(double, double, int, int, double &, double *); + void compute_corr(double, int, int, double &, double *); void setup(double); }; diff --git a/src/ELECTRODE/wire_dipole.cpp b/src/ELECTRODE/wire_dipole.cpp index 6d0d7a4241..5a3e3d976a 100644 --- a/src/ELECTRODE/wire_dipole.cpp +++ b/src/ELECTRODE/wire_dipole.cpp @@ -34,8 +34,8 @@ using namespace MathConst; */ WireDipole::WireDipole(LAMMPS *lmp) : BoundaryCorrection(lmp){}; -void WireDipole::compute_corr(double /*qsum*/, double /*slab_volfactor*/, int eflag_atom, - int eflag_global, double &energy, double *eatom) +void WireDipole::compute_corr(double /*qsum*/, int eflag_atom, int eflag_global, double &energy, + double *eatom) { double const volume = get_volume(); double *q = atom->q; diff --git a/src/ELECTRODE/wire_dipole.h b/src/ELECTRODE/wire_dipole.h index 70f596c0e8..649913cd13 100644 --- a/src/ELECTRODE/wire_dipole.h +++ b/src/ELECTRODE/wire_dipole.h @@ -27,7 +27,7 @@ class WireDipole : public BoundaryCorrection { WireDipole(LAMMPS *); void vector_corr(double *, int, int, bool); void matrix_corr(bigint *, double **); - void compute_corr(double, double, int, int, double &, double *); + void compute_corr(double, int, int, double &, double *); void setup(double); }; diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 67d252acb8..ff8c5eb9c9 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -472,17 +472,6 @@ void FixGCMC::init() } triclinic = domain->triclinic; - if (triclinic) { - if ((region_xlo < domain->boxlo_bound[0]) || (region_xhi > domain->boxhi_bound[0]) || - (region_ylo < domain->boxlo_bound[1]) || (region_yhi > domain->boxhi_bound[1]) || - (region_zlo < domain->boxlo_bound[2]) || (region_zhi > domain->boxhi_bound[2])) - error->all(FLERR,"Fix gcmc region {} extends outside simulation box", region->id); - } else { - if ((region_xlo < domain->boxlo[0]) || (region_xhi > domain->boxhi[0]) || - (region_ylo < domain->boxlo[1]) || (region_yhi > domain->boxhi[1]) || - (region_zlo < domain->boxlo[2]) || (region_zhi > domain->boxhi[2])) - error->all(FLERR,"Fix gcmc region {} extends outside simulation box", region->id); - } if (triclinic) { if ((region_xlo < domain->boxlo_bound[0]) || (region_xhi > domain->boxhi_bound[0]) || @@ -692,7 +681,7 @@ void FixGCMC::init() else { double lambda = sqrt(force->hplanck*force->hplanck/ (2.0*MY_PI*gas_mass*force->mvv2e* - force->boltz*reservoir_temperature)); + force->boltz*reservoir_temperature)); zz = exp(beta*chemical_potential)/(pow(lambda,3.0)); } @@ -700,7 +689,7 @@ void FixGCMC::init() if (pressure_flag) zz = pressure*fugacity_coeff*beta/force->nktv2p; imagezero = ((imageint) IMGMAX << IMG2BITS) | - ((imageint) IMGMAX << IMGBITS) | IMGMAX; + ((imageint) IMGMAX << IMGBITS) | IMGMAX; // warning if group id is "all"