From c6fdd8ddb67bfeda1c5b38c5fba9c33d72e2b732 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 25 Sep 2024 22:00:21 -0400 Subject: [PATCH] get rid of some non-ASCII characters --- src/CG-DNA/pair_oxdna_excv.cpp | 37 +++++++++++++------------- src/DPD-BASIC/pair_dpd_ext.cpp | 2 +- src/DPD-BASIC/pair_dpd_ext_tstat.cpp | 2 +- src/ELECTRODE/boundary_correction.cpp | 2 +- src/ELECTRODE/boundary_correction.h | 2 +- src/ELECTRODE/electrode_kspace.h | 2 +- src/ELECTRODE/electrode_math.h | 2 +- src/ELECTRODE/electrode_matrix.cpp | 2 +- src/ELECTRODE/electrode_matrix.h | 2 +- src/ELECTRODE/electrode_vector.cpp | 2 +- src/ELECTRODE/electrode_vector.h | 2 +- src/ELECTRODE/ewald_electrode.cpp | 2 +- src/ELECTRODE/ewald_electrode.h | 2 +- src/ELECTRODE/fix_electrode_conp.cpp | 2 +- src/ELECTRODE/fix_electrode_conp.h | 2 +- src/ELECTRODE/fix_electrode_conq.cpp | 2 +- src/ELECTRODE/fix_electrode_conq.h | 2 +- src/ELECTRODE/fix_electrode_thermo.cpp | 2 +- src/ELECTRODE/fix_electrode_thermo.h | 2 +- src/ELECTRODE/pppm_electrode.cpp | 2 +- src/ELECTRODE/pppm_electrode.h | 2 +- src/ELECTRODE/slab_2d.cpp | 2 +- src/ELECTRODE/slab_2d.h | 2 +- src/ELECTRODE/slab_dipole.cpp | 2 +- src/ELECTRODE/slab_dipole.h | 2 +- src/ELECTRODE/wire_dipole.cpp | 2 +- src/ELECTRODE/wire_dipole.h | 2 +- src/KOKKOS/math_special_kokkos.cpp | 4 +-- src/KOKKOS/pair_uf3_kokkos.cpp | 2 +- src/KOKKOS/pair_uf3_kokkos.h | 2 +- src/MANYBODY/pair_lcbop.cpp | 2 +- src/MEAM/meam_funcs.cpp | 2 +- src/MEAM/meam_impl.cpp | 2 +- src/MISC/fix_ipi.cpp | 2 +- src/ML-IAP/mliap_model_nn.cpp | 2 +- src/ML-SNAP/sna.cpp | 4 +-- src/ML-UF3/pair_uf3.cpp | 2 +- src/ML-UF3/pair_uf3.h | 2 +- src/REACTION/fix_bond_react.cpp | 2 +- src/SMTBQ/pair_smtbq.cpp | 9 +++---- src/SPH/pair_sph_lj.cpp | 4 +-- src/SPIN/fix_neb_spin.cpp | 2 +- src/SPIN/min_spin_cg.cpp | 2 +- src/SPIN/min_spin_lbfgs.cpp | 2 +- src/SPIN/neb_spin.cpp | 2 +- src/label_map.cpp | 2 +- src/math_special.cpp | 4 +-- src/min_fire.cpp | 2 +- 48 files changed, 71 insertions(+), 75 deletions(-) diff --git a/src/CG-DNA/pair_oxdna_excv.cpp b/src/CG-DNA/pair_oxdna_excv.cpp index 3e92512f4d..a764679839 100644 --- a/src/CG-DNA/pair_oxdna_excv.cpp +++ b/src/CG-DNA/pair_oxdna_excv.cpp @@ -918,15 +918,15 @@ int PairOxdnaExcv::pack_forward_comm(int n, int *list, double *buf, m = 0; for (i = 0; i < n; i++) { j = list[i]; - buf[m++] = nx[j][0]; - buf[m++] = nx[j][1]; - buf[m++] = nx[j][2]; - buf[m++] = ny[j][0]; - buf[m++] = ny[j][1]; - buf[m++] = ny[j][2]; - buf[m++] = nz[j][0]; - buf[m++] = nz[j][1]; - buf[m++] = nz[j][2]; + buf[m++] = nx[j][0]; + buf[m++] = nx[j][1]; + buf[m++] = nx[j][2]; + buf[m++] = ny[j][0]; + buf[m++] = ny[j][1]; + buf[m++] = ny[j][2]; + buf[m++] = nz[j][0]; + buf[m++] = nz[j][1]; + buf[m++] = nz[j][2]; } return m; } @@ -936,19 +936,18 @@ int PairOxdnaExcv::pack_forward_comm(int n, int *list, double *buf, void PairOxdnaExcv::unpack_forward_comm(int n, int first, double *buf) { int i,m,last; - m = 0; last = first + n; for (i = first; i < last; i++) { - nx[i][0] = buf[m++]; - nx[i][1] = buf[m++]; - nx[i][2] = buf[m++]; - ny[i][0] = buf[m++]; - ny[i][1] = buf[m++]; - ny[i][2] = buf[m++]; - nz[i][0] = buf[m++]; - nz[i][1] = buf[m++]; - nz[i][2] = buf[m++]; + nx[i][0] = buf[m++]; + nx[i][1] = buf[m++]; + nx[i][2] = buf[m++]; + ny[i][0] = buf[m++]; + ny[i][1] = buf[m++]; + ny[i][2] = buf[m++]; + nz[i][0] = buf[m++]; + nz[i][1] = buf[m++]; + nz[i][2] = buf[m++]; } } diff --git a/src/DPD-BASIC/pair_dpd_ext.cpp b/src/DPD-BASIC/pair_dpd_ext.cpp index da08e53a4a..e87ba893d8 100644 --- a/src/DPD-BASIC/pair_dpd_ext.cpp +++ b/src/DPD-BASIC/pair_dpd_ext.cpp @@ -13,7 +13,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Martin Svoboda (ICPF, UJEP), Martin Lísal (ICPF, UJEP) + Contributing authors: Martin Svoboda (ICPF, UJEP), Martin Lisal (ICPF, UJEP) based on pair style dpd by: Kurt Smith (U Pittsburgh) ------------------------------------------------------------------------- */ diff --git a/src/DPD-BASIC/pair_dpd_ext_tstat.cpp b/src/DPD-BASIC/pair_dpd_ext_tstat.cpp index fe881d7bc5..86a862604a 100644 --- a/src/DPD-BASIC/pair_dpd_ext_tstat.cpp +++ b/src/DPD-BASIC/pair_dpd_ext_tstat.cpp @@ -13,7 +13,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Martin Svoboda (ICPF, UJEP), Martin Lísal (ICPF, UJEP) + Contributing authors: Martin Svoboda (ICPF, UJEP), Martin Lisal (ICPF, UJEP) ------------------------------------------------------------------------- */ #include "pair_dpd_ext_tstat.h" diff --git a/src/ELECTRODE/boundary_correction.cpp b/src/ELECTRODE/boundary_correction.cpp index 8e622c170f..1d4eb8e29c 100644 --- a/src/ELECTRODE/boundary_correction.cpp +++ b/src/ELECTRODE/boundary_correction.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "boundary_correction.h" diff --git a/src/ELECTRODE/boundary_correction.h b/src/ELECTRODE/boundary_correction.h index 3fec90f8d2..615e1d4343 100644 --- a/src/ELECTRODE/boundary_correction.h +++ b/src/ELECTRODE/boundary_correction.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_BOUNDARY_CORRECTION_H diff --git a/src/ELECTRODE/electrode_kspace.h b/src/ELECTRODE/electrode_kspace.h index f51e61a534..32492e6fb8 100644 --- a/src/ELECTRODE/electrode_kspace.h +++ b/src/ELECTRODE/electrode_kspace.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_ELECTRODE_KSPACE_H diff --git a/src/ELECTRODE/electrode_math.h b/src/ELECTRODE/electrode_math.h index 4a3cb7bac4..d63ff71fa4 100644 --- a/src/ELECTRODE/electrode_math.h +++ b/src/ELECTRODE/electrode_math.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_ELECTRODE_MATH_H diff --git a/src/ELECTRODE/electrode_matrix.cpp b/src/ELECTRODE/electrode_matrix.cpp index 9c2da1d13b..234da1be6b 100644 --- a/src/ELECTRODE/electrode_matrix.cpp +++ b/src/ELECTRODE/electrode_matrix.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "electrode_matrix.h" diff --git a/src/ELECTRODE/electrode_matrix.h b/src/ELECTRODE/electrode_matrix.h index 1c64d8a4c4..fe51815d93 100644 --- a/src/ELECTRODE/electrode_matrix.h +++ b/src/ELECTRODE/electrode_matrix.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_ELECTRODE_MATRIX_H diff --git a/src/ELECTRODE/electrode_vector.cpp b/src/ELECTRODE/electrode_vector.cpp index 1ffd8c1317..582aad7b3c 100644 --- a/src/ELECTRODE/electrode_vector.cpp +++ b/src/ELECTRODE/electrode_vector.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "electrode_vector.h" diff --git a/src/ELECTRODE/electrode_vector.h b/src/ELECTRODE/electrode_vector.h index a4f274a049..0a48348ca8 100644 --- a/src/ELECTRODE/electrode_vector.h +++ b/src/ELECTRODE/electrode_vector.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_ELECTRODE_VECTOR_H diff --git a/src/ELECTRODE/ewald_electrode.cpp b/src/ELECTRODE/ewald_electrode.cpp index 80c9c94a06..d3af5db748 100644 --- a/src/ELECTRODE/ewald_electrode.cpp +++ b/src/ELECTRODE/ewald_electrode.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "ewald_electrode.h" diff --git a/src/ELECTRODE/ewald_electrode.h b/src/ELECTRODE/ewald_electrode.h index cea00fbbcf..29f3d03037 100644 --- a/src/ELECTRODE/ewald_electrode.h +++ b/src/ELECTRODE/ewald_electrode.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifdef KSPACE_CLASS diff --git a/src/ELECTRODE/fix_electrode_conp.cpp b/src/ELECTRODE/fix_electrode_conp.cpp index ad3c255861..5b2dd6b028 100644 --- a/src/ELECTRODE/fix_electrode_conp.cpp +++ b/src/ELECTRODE/fix_electrode_conp.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "fix_electrode_conp.h" diff --git a/src/ELECTRODE/fix_electrode_conp.h b/src/ELECTRODE/fix_electrode_conp.h index b0b4a1fd46..ca76274c7f 100644 --- a/src/ELECTRODE/fix_electrode_conp.h +++ b/src/ELECTRODE/fix_electrode_conp.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifdef FIX_CLASS diff --git a/src/ELECTRODE/fix_electrode_conq.cpp b/src/ELECTRODE/fix_electrode_conq.cpp index a6baa1e122..34a5c7e1c1 100644 --- a/src/ELECTRODE/fix_electrode_conq.cpp +++ b/src/ELECTRODE/fix_electrode_conq.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "fix_electrode_conq.h" diff --git a/src/ELECTRODE/fix_electrode_conq.h b/src/ELECTRODE/fix_electrode_conq.h index 221ec2beff..f013fb0d29 100644 --- a/src/ELECTRODE/fix_electrode_conq.h +++ b/src/ELECTRODE/fix_electrode_conq.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifdef FIX_CLASS diff --git a/src/ELECTRODE/fix_electrode_thermo.cpp b/src/ELECTRODE/fix_electrode_thermo.cpp index 92db4b3ee0..89cf267ffb 100644 --- a/src/ELECTRODE/fix_electrode_thermo.cpp +++ b/src/ELECTRODE/fix_electrode_thermo.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "fix_electrode_thermo.h" diff --git a/src/ELECTRODE/fix_electrode_thermo.h b/src/ELECTRODE/fix_electrode_thermo.h index 81a60f4715..e2bd8ec7ac 100644 --- a/src/ELECTRODE/fix_electrode_thermo.h +++ b/src/ELECTRODE/fix_electrode_thermo.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifdef FIX_CLASS diff --git a/src/ELECTRODE/pppm_electrode.cpp b/src/ELECTRODE/pppm_electrode.cpp index ee34def74d..8720e540ae 100644 --- a/src/ELECTRODE/pppm_electrode.cpp +++ b/src/ELECTRODE/pppm_electrode.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "pppm_electrode.h" diff --git a/src/ELECTRODE/pppm_electrode.h b/src/ELECTRODE/pppm_electrode.h index 1eda1d78b8..84a9465204 100644 --- a/src/ELECTRODE/pppm_electrode.h +++ b/src/ELECTRODE/pppm_electrode.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifdef KSPACE_CLASS diff --git a/src/ELECTRODE/slab_2d.cpp b/src/ELECTRODE/slab_2d.cpp index f38f22617d..12045c28a3 100644 --- a/src/ELECTRODE/slab_2d.cpp +++ b/src/ELECTRODE/slab_2d.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "slab_2d.h" diff --git a/src/ELECTRODE/slab_2d.h b/src/ELECTRODE/slab_2d.h index 544602cfab..b482b16910 100644 --- a/src/ELECTRODE/slab_2d.h +++ b/src/ELECTRODE/slab_2d.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_SLAB_2D_H diff --git a/src/ELECTRODE/slab_dipole.cpp b/src/ELECTRODE/slab_dipole.cpp index 27ec42a8b5..07beeccd0e 100644 --- a/src/ELECTRODE/slab_dipole.cpp +++ b/src/ELECTRODE/slab_dipole.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "slab_dipole.h" diff --git a/src/ELECTRODE/slab_dipole.h b/src/ELECTRODE/slab_dipole.h index baa5fb5a4b..f299940955 100644 --- a/src/ELECTRODE/slab_dipole.h +++ b/src/ELECTRODE/slab_dipole.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_SLAB_DIPOLE_H diff --git a/src/ELECTRODE/wire_dipole.cpp b/src/ELECTRODE/wire_dipole.cpp index 5a3e3d976a..cbe162a456 100644 --- a/src/ELECTRODE/wire_dipole.cpp +++ b/src/ELECTRODE/wire_dipole.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #include "wire_dipole.h" diff --git a/src/ELECTRODE/wire_dipole.h b/src/ELECTRODE/wire_dipole.h index 649913cd13..bf60ceb75c 100644 --- a/src/ELECTRODE/wire_dipole.h +++ b/src/ELECTRODE/wire_dipole.h @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meißner (TUHH) + Contributing authors: Ludwig Ahrens-Iwers (TUHH), Shern Tee (UQ), Robert Meissner (TUHH) ------------------------------------------------------------------------- */ #ifndef LMP_WIRE_DIPOLE_H diff --git a/src/KOKKOS/math_special_kokkos.cpp b/src/KOKKOS/math_special_kokkos.cpp index 84c584a5cc..017f0e28da 100644 --- a/src/KOKKOS/math_special_kokkos.cpp +++ b/src/KOKKOS/math_special_kokkos.cpp @@ -18,7 +18,7 @@ using namespace LAMMPS_NS; * * Copyright: * (C) 2012 Massachusetts Institute of Technology - * (C) 2013 Forschungszentrum Jülich GmbH + * (C) 2013 Forschungszentrum Juelich GmbH * * Licence: * Permission is hereby granted, free of charge, to any person obtaining @@ -42,7 +42,7 @@ using namespace LAMMPS_NS; * * Authors: * Steven G. Johnson, Massachusetts Institute of Technology, 2012, core author - * Joachim Wuttke, Forschungszentrum Jülich, 2013, package maintainer + * Joachim Wuttke, Forschungszentrum Juelich, 2013, package maintainer * * Website: * https://jugit.fz-juelich.de/mlz/libcerf diff --git a/src/KOKKOS/pair_uf3_kokkos.cpp b/src/KOKKOS/pair_uf3_kokkos.cpp index da7660d0d0..8f83be6bda 100644 --- a/src/KOKKOS/pair_uf3_kokkos.cpp +++ b/src/KOKKOS/pair_uf3_kokkos.cpp @@ -13,7 +13,7 @@ /* ---------------------------------------------------------------------- Contributing author: Ajinkya Hire (Univ. of Florida), - Hendrik Kraß (Univ. of Constance), + Hendrik Krass (Univ. of Constance), Matthias Rupp (Luxembourg Institute of Science and Technology), Richard Hennig (Univ of Florida) ---------------------------------------------------------------------- */ diff --git a/src/KOKKOS/pair_uf3_kokkos.h b/src/KOKKOS/pair_uf3_kokkos.h index 952e2aba25..b3a4689e9d 100644 --- a/src/KOKKOS/pair_uf3_kokkos.h +++ b/src/KOKKOS/pair_uf3_kokkos.h @@ -13,7 +13,7 @@ /* ---------------------------------------------------------------------- Contributing author: Ajinkya Hire (Univ. of Florida), - Hendrik Kraß (Univ. of Constance), + Hendrik Krass (Univ. of Constance), Matthias Rupp (Luxembourg Institute of Science and Technology), Richard Hennig (Univ of Florida) ---------------------------------------------------------------------- */ diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 1e19363212..d4f8cd4ec4 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -13,7 +13,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: Dominik Wójt (Wroclaw University of Technology) + Contributing author: Dominik Wojt (Wroclaw University of Technology) based on pair_airebo by Ase Henry (MIT) ------------------------------------------------------------------------- */ diff --git a/src/MEAM/meam_funcs.cpp b/src/MEAM/meam_funcs.cpp index 13caa1e984..b08d8380b3 100644 --- a/src/MEAM/meam_funcs.cpp +++ b/src/MEAM/meam_funcs.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: Sebastian Hütter (OvGU) + Contributing author: Sebastian Huetter (OvGU) ------------------------------------------------------------------------- */ #include "meam.h" diff --git a/src/MEAM/meam_impl.cpp b/src/MEAM/meam_impl.cpp index 41248c192b..8f54141396 100644 --- a/src/MEAM/meam_impl.cpp +++ b/src/MEAM/meam_impl.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: Sebastian Hütter (OvGU) + Contributing author: Sebastian Huetter (OvGU) ------------------------------------------------------------------------- */ #include "meam.h" diff --git a/src/MISC/fix_ipi.cpp b/src/MISC/fix_ipi.cpp index 80666790e2..68b552e9c1 100644 --- a/src/MISC/fix_ipi.cpp +++ b/src/MISC/fix_ipi.cpp @@ -40,7 +40,7 @@ using namespace FixConst; * Please cite: * Ceriotti, M., More, J., & Manolopoulos, D. E. (2014). * i-PI: A Python interface for ab initio path integral molecular dynamics simulations. - * Computer Physics Communications, 185, 1019–1026. doi:10.1016/j.cpc.2013.10.027 + * Computer Physics Communications, 185, 1019-1026. doi:10.1016/j.cpc.2013.10.027 * And see [https://github.com/i-pi/i-pi] to download a version of i-PI ******************************************************************************************/ diff --git a/src/ML-IAP/mliap_model_nn.cpp b/src/ML-IAP/mliap_model_nn.cpp index 6695109f91..2273594c5b 100644 --- a/src/ML-IAP/mliap_model_nn.cpp +++ b/src/ML-IAP/mliap_model_nn.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing author: Pedro Antonio Santos Flórez (UNLV) + Contributing author: Pedro Antonio Santos Florez (UNLV) ------------------------------------------------------------------------- */ #include "mliap_model_nn.h" diff --git a/src/ML-SNAP/sna.cpp b/src/ML-SNAP/sna.cpp index d9833f5422..1fec4e5d75 100644 --- a/src/ML-SNAP/sna.cpp +++ b/src/ML-SNAP/sna.cpp @@ -1580,8 +1580,8 @@ double SNA::compute_dsfac(double r, double rcut, double sinner, double dinner) else if (r <= rmin0) sfac_outer = 1.0; else if (r > rcut) sfac_outer = 0.0; else { - double rcutfac = MY_PI / (rcut - rmin0); - sfac_outer = 0.5 * (cos((r - rmin0) * rcutfac) + 1.0); + double rcutfac = MY_PI / (rcut - rmin0); + sfac_outer = 0.5 * (cos((r - rmin0) * rcutfac) + 1.0); } // calculate sfac_inner diff --git a/src/ML-UF3/pair_uf3.cpp b/src/ML-UF3/pair_uf3.cpp index 1f91f25f5b..56b99f72b0 100644 --- a/src/ML-UF3/pair_uf3.cpp +++ b/src/ML-UF3/pair_uf3.cpp @@ -13,7 +13,7 @@ /* ---------------------------------------------------------------------- Contributing author: Ajinkya Hire (Univ. of Florida), - Hendrik Kraß (Univ. of Constance), + Hendrik Krass (Univ. of Constance), Matthias Rupp (Luxembourg Institute of Science and Technology), Richard Hennig (Univ of Florida) ---------------------------------------------------------------------- */ diff --git a/src/ML-UF3/pair_uf3.h b/src/ML-UF3/pair_uf3.h index 58a951c4c2..35b268e080 100644 --- a/src/ML-UF3/pair_uf3.h +++ b/src/ML-UF3/pair_uf3.h @@ -13,7 +13,7 @@ /* ---------------------------------------------------------------------- Contributing author: Ajinkya Hire (Univ. of Florida), - Hendrik Kraß (Univ. of Constance), + Hendrik Krass (Univ. of Constance), Matthias Rupp (Luxembourg Institute of Science and Technology), Richard Hennig (Univ of Florida) ---------------------------------------------------------------------- */ diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index 1e4ae33ee6..532724f26a 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -844,7 +844,7 @@ void FixBondReact::init_list(int /*id*/, NeighList *ptr) /* ---------------------------------------------------------------------- Identify all pairs of potentially reactive atoms for this time step. - This function is modified from LAMMPS’ fix bond/create. + This function is modified from LAMMPS' fix bond/create. ---------------------------------------------------------------------- */ void FixBondReact::post_integrate() diff --git a/src/SMTBQ/pair_smtbq.cpp b/src/SMTBQ/pair_smtbq.cpp index 3696a3ab6c..78ac34aea4 100644 --- a/src/SMTBQ/pair_smtbq.cpp +++ b/src/SMTBQ/pair_smtbq.cpp @@ -14,7 +14,7 @@ /* ---------------------------------------------------------------------- The SMTBQ code has been developed with the financial support of CNRS and - of the Regional Council of Burgundy (Convention n¡ 2010-9201AAO037S03129) + of the Regional Council of Burgundy (Convention No 2010-9201AAO037S03129) Copyright (2015) Universite de Bourgogne : Nicolas SALLES, Olivier POLITANO @@ -27,7 +27,7 @@ Contact: Nicolas Salles Olivier Politano - Robert Tétot + Robert Tetot This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as @@ -895,7 +895,7 @@ void PairSMTBQ::compute(int eflag, int vflag) 3 -> Short int. Ox-Ox 4 -> Short int. SMTB (repulsion) 5 -> Covalent energy SMTB - 6 -> Somme des Q(i)² + 6 -> Sum over Q(i)**2 ------------------------------------------------------------------------- */ /* -------------- N-body forces Calcul --------------- */ @@ -2980,9 +2980,6 @@ void PairSMTBQ::groupQEqAllParallel_QEq() ngp = igp = 0; nelt[ngp] = 0; - // On prend un oxygène - // printf ("[me %d] On prend un oxygene\n",me); - for (ii = 0; ii < inum; ii++) { i = ilist[ii] ; itype = map[type[i]]; if (itype != 0 || flag_QEq[i] == 0) continue; diff --git a/src/SPH/pair_sph_lj.cpp b/src/SPH/pair_sph_lj.cpp index 4bdefca1a6..63b84c630d 100644 --- a/src/SPH/pair_sph_lj.cpp +++ b/src/SPH/pair_sph_lj.cpp @@ -292,7 +292,7 @@ double PairSPHLJ::init_one(int i, int j) /* --------------------------------------------------------------------------------------------- */ /* Lennard-Jones EOS, Francis H. Ree - "Analytic representation of thermodynamic data for the Lennard‐Jones fluid", + Analytic representation of thermodynamic data for the Lennard-Jones fluid, Journal of Chemical Physics 73 pp. 5401-5403 (1980) */ @@ -331,7 +331,7 @@ void PairSPHLJ::LJEOS2(double rho, double e, double cv, double *p, double *c) /* ------------------------------------------------------------------------------ */ -/* Jirí Kolafa, Ivo Nezbeda +/* Jiri Kolafa, Ivo Nezbeda * "The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state", * Fluid Phase Equilibria 100 pp. 1-34 (1994) */ /*double PairSPHLJ::LJEOS2(double rho, double e, double cv) { diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp index 0d7703d06f..f3fd347242 100644 --- a/src/SPIN/fix_neb_spin.cpp +++ b/src/SPIN/fix_neb_spin.cpp @@ -16,7 +16,7 @@ Contributing authors: Julien Tranchida (SNL) Please cite the related publication: - Bessarab, P. F., Uzdin, V. M., & Jónsson, H. (2015). + Bessarab, P. F., Uzdin, V. M., & Jonsson, H. (2015). Method for finding mechanism and activation energy of magnetic transitions, applied to skyrmion and antivortex annihilation. Computer Physics Communications, 196, 335-347. diff --git a/src/SPIN/min_spin_cg.cpp b/src/SPIN/min_spin_cg.cpp index ed7ab6c329..263caac8a5 100644 --- a/src/SPIN/min_spin_cg.cpp +++ b/src/SPIN/min_spin_cg.cpp @@ -17,7 +17,7 @@ Julien Tranchida (SNL) Please cite the related publication: - Ivanov, A. V., Uzdin, V. M., & Jónsson, H. (2019). Fast and Robust + Ivanov, A. V., Uzdin, V. M., & Jonsson, H. (2019). Fast and Robust Algorithm for the Minimisation of the Energy of Spin Systems. arXiv preprint arXiv:1904.02669. ------------------------------------------------------------------------- */ diff --git a/src/SPIN/min_spin_lbfgs.cpp b/src/SPIN/min_spin_lbfgs.cpp index e4f0dce8b9..8d62f8d51e 100644 --- a/src/SPIN/min_spin_lbfgs.cpp +++ b/src/SPIN/min_spin_lbfgs.cpp @@ -17,7 +17,7 @@ Julien Tranchida (SNL) Please cite the related publication: - Ivanov, A. V., Uzdin, V. M., & Jónsson, H. (2019). Fast and Robust + Ivanov, A. V., Uzdin, V. M., & Jonsson, H. (2019). Fast and Robust Algorithm for the Minimisation of the Energy of Spin Systems. arXiv preprint arXiv:1904.02669. ------------------------------------------------------------------------- */ diff --git a/src/SPIN/neb_spin.cpp b/src/SPIN/neb_spin.cpp index fb8b7d8353..6d6ec1bbfd 100644 --- a/src/SPIN/neb_spin.cpp +++ b/src/SPIN/neb_spin.cpp @@ -16,7 +16,7 @@ Contributing authors: Julien Tranchida (SNL) Please cite the related publication: - Bessarab, P. F., Uzdin, V. M., & Jónsson, H. (2015). + Bessarab, P. F., Uzdin, V. M., & Jonsson, H. (2015). Method for finding mechanism and activation energy of magnetic transitions, applied to skyrmion and antivortex annihilation. Computer Physics Communications, 196, 335-347. diff --git a/src/label_map.cpp b/src/label_map.cpp index 174f16a7ec..c4865d5ace 100644 --- a/src/label_map.cpp +++ b/src/label_map.cpp @@ -33,7 +33,7 @@ static const char cite_type_label_framework[] = " year = 2024,\n" " volume = 128,\n" " number = 13,\n" - " pages = {3282–-3297}\n" + " pages = {3282--3297}\n" "}\n\n"; /* ---------------------------------------------------------------------- */ diff --git a/src/math_special.cpp b/src/math_special.cpp index 2bc0cc3deb..b0d9df70b4 100644 --- a/src/math_special.cpp +++ b/src/math_special.cpp @@ -209,7 +209,7 @@ double MathSpecial::factorial(const int n) * * Copyright: * (C) 2012 Massachusetts Institute of Technology - * (C) 2013 Forschungszentrum Jülich GmbH + * (C) 2013 Forschungszentrum Juelich GmbH * * Licence: * Permission is hereby granted, free of charge, to any person obtaining @@ -233,7 +233,7 @@ double MathSpecial::factorial(const int n) * * Authors: * Steven G. Johnson, Massachusetts Institute of Technology, 2012, core author - * Joachim Wuttke, Forschungszentrum Jülich, 2013, package maintainer + * Joachim Wuttke, Forschungszentrum Juelich, 2013, package maintainer * * Website: * https://jugit.fz-juelich.de/mlz/libcerf diff --git a/src/min_fire.cpp b/src/min_fire.cpp index b227c1cc3a..3f5976a9fa 100644 --- a/src/min_fire.cpp +++ b/src/min_fire.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- - Contributing authors: Julien Guénolé, CNRS and + Contributing authors: Julien Guenole, CNRS and Erik Bitzek, FAU Erlangen-Nuernberg Support for ABC-FIRE: