{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.OUbzRVed/b1/lammps_20240207+dfsg-1.1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.OUbzRVed/b2/lammps_20240207+dfsg-1.1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,10 +1,10 @@\n \n 099bb3a86d9f2670a18dc34352374665 9539684 doc optional lammps-data_20240207+dfsg-1.1_all.deb\n b8a9f0b055a0a190dd48438e3ae840ed 22580 debug optional lammps-dbgsym_20240207+dfsg-1.1_amd64.deb\n- e745aeb7b0d4cef1fcf10fb6c8cb5ee3 54045856 doc optional lammps-doc_20240207+dfsg-1.1_all.deb\n+ 3376d542b4cc8fa529d29b671aa2646d 54045608 doc optional lammps-doc_20240207+dfsg-1.1_all.deb\n 7fe846b25469c9cef91c88f5ae00f73d 45419824 doc optional lammps-examples_20240207+dfsg-1.1_all.deb\n 013d4ef9a208e6c7c383fdc4c081d0ee 18204 science optional lammps_20240207+dfsg-1.1_amd64.deb\n 9c97a666b42a0d8a4c645d1c9514c790 114024 science optional liblammps-dev_20240207+dfsg-1.1_amd64.deb\n 0fe931d431428180993456678be0f792 83509288 debug optional liblammps0t64-dbgsym_20240207+dfsg-1.1_amd64.deb\n 7881e9df4c0ed94de1c3377b771097c6 7044964 science optional liblammps0t64_20240207+dfsg-1.1_amd64.deb\n 8545f5ec7a306390f967caa21bfb9f1b 72268 python optional python3-lammps_20240207+dfsg-1.1_amd64.deb\n"}, {"source1": "lammps-doc_20240207+dfsg-1.1_all.deb", "source2": "lammps-doc_20240207+dfsg-1.1_all.deb", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -1,3 +1,3 @@\n -rw-r--r-- 0 0 0 4 2024-02-28 16:51:42.000000 debian-binary\n--rw-r--r-- 0 0 0 29456 2024-02-28 16:51:42.000000 control.tar.xz\n--rw-r--r-- 0 0 0 54016208 2024-02-28 16:51:42.000000 data.tar.xz\n+-rw-r--r-- 0 0 0 29432 2024-02-28 16:51:42.000000 control.tar.xz\n+-rw-r--r-- 0 0 0 54015984 2024-02-28 16:51:42.000000 data.tar.xz\n"}, {"source1": "control.tar.xz", "source2": "control.tar.xz", "unified_diff": null, "details": [{"source1": "control.tar", "source2": "control.tar", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "comments": ["Files differ"], "unified_diff": null}]}]}]}, {"source1": "data.tar.xz", "source2": "data.tar.xz", "unified_diff": null, "details": [{"source1": "data.tar", "source2": "data.tar", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -79,15 +79,15 @@\n -rw-r--r-- 0 root (0) root (0) 32513 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_chunk.html\n -rw-r--r-- 0 root (0) root (0) 52164 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_cmake.html\n -rw-r--r-- 0 root (0) root (0) 34137 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_coreshell.html\n -rw-r--r-- 0 root (0) root (0) 14808 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_couple.html\n -rw-r--r-- 0 root (0) root (0) 12159 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_diffusion.html\n -rw-r--r-- 0 root (0) root (0) 16288 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_dispersion.html\n -rw-r--r-- 0 root (0) root (0) 15378 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_drude.html\n--rw-r--r-- 0 root (0) root (0) 65068 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_drude2.html\n+-rw-r--r-- 0 root (0) root (0) 65049 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_drude2.html\n -rw-r--r-- 0 root (0) root (0) 14427 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_elastic.html\n -rw-r--r-- 0 root (0) root (0) 34918 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_github.html\n -rw-r--r-- 0 root (0) root (0) 14995 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_granular.html\n -rw-r--r-- 0 root (0) root (0) 16991 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_grid.html\n -rw-r--r-- 0 root (0) root (0) 15687 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_kappa.html\n -rw-r--r-- 0 root (0) root (0) 55178 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_lammps_gui.html\n -rw-r--r-- 0 root (0) root (0) 13375 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/Howto_library.html\n@@ -914,15 +914,15 @@\n -rw-r--r-- 0 root (0) root (0) 44404 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_store_force.html\n -rw-r--r-- 0 root (0) root (0) 48725 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_store_state.html\n -rw-r--r-- 0 root (0) root (0) 52354 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_temp_berendsen.html\n -rw-r--r-- 0 root (0) root (0) 54072 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_temp_csvr.html\n -rw-r--r-- 0 root (0) root (0) 52686 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_temp_rescale.html\n -rw-r--r-- 0 root (0) root (0) 44956 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_temp_rescale_eff.html\n -rw-r--r-- 0 root (0) root (0) 49982 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_tfmc.html\n--rw-r--r-- 0 root (0) root (0) 64768 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_tgnh_drude.html\n+-rw-r--r-- 0 root (0) root (0) 64785 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_tgnh_drude.html\n -rw-r--r-- 0 root (0) root (0) 51539 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_thermal_conductivity.html\n -rw-r--r-- 0 root (0) root (0) 50591 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_ti_spring.html\n -rw-r--r-- 0 root (0) root (0) 47370 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_tmd.html\n -rw-r--r-- 0 root (0) root (0) 66678 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_ttm.html\n -rw-r--r-- 0 root (0) root (0) 45289 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_tune_kspace.html\n -rw-r--r-- 0 root (0) root (0) 52810 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_vector.html\n -rw-r--r-- 0 root (0) root (0) 51687 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/fix_viscosity.html\n@@ -984,15 +984,15 @@\n -rw-r--r-- 0 root (0) root (0) 57872 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/molecule.html\n -rw-r--r-- 0 root (0) root (0) 52564 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/neb.html\n -rw-r--r-- 0 root (0) root (0) 47839 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/neb_spin.html\n -rw-r--r-- 0 root (0) root (0) 42941 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/neigh_modify.html\n -rw-r--r-- 0 root (0) root (0) 33229 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/neighbor.html\n -rw-r--r-- 0 root (0) root (0) 28001 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/newton.html\n -rw-r--r-- 0 root (0) root (0) 35478 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/next.html\n--rw-r--r-- 0 root (0) root (0) 44423 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/objects.inv\n+-rw-r--r-- 0 root (0) root (0) 44419 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/objects.inv\n -rw-r--r-- 0 root (0) root (0) 73406 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/package.html\n -rw-r--r-- 0 root (0) root (0) 61356 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_adp.html\n -rw-r--r-- 0 root (0) root (0) 56262 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_agni.html\n -rw-r--r-- 0 root (0) root (0) 67347 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_aip_water_2dm.html\n -rw-r--r-- 0 root (0) root (0) 66648 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_airebo.html\n -rw-r--r-- 0 root (0) root (0) 65685 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_amoeba.html\n -rw-r--r-- 0 root (0) root (0) 63748 2024-02-28 16:51:42.000000 ./usr/share/doc/lammps/html/pair_atm.html\n"}, {"source1": "./usr/share/doc/lammps/html/Howto_drude2.html", "source2": "./usr/share/doc/lammps/html/Howto_drude2.html", "unified_diff": "@@ -472,15 +472,15 @@\n fix NPT ATOMS npt temp 300. 300. 100 iso 1. 1. 500\n fix_modify NPT temp TATOMS press thermo_press\n fix NVT DRUDES nvt temp 1. 1. 20\n fix INVERSE all drude/transform/inverse\n \n \n
Another option for thermalizing the Drude model is to use the\n-temperature-grouped Nose-Hoover (TGNH) thermostat proposed by (Son).\n+temperature-grouped Nose-Hoover (TGNH) thermostat proposed by (Son).\n This is implemented as fix tgnvt/drude and fix tgnpt/drude.\n It separates the kinetic energy into three contributions:\n the molecular center of mass (COM) motion, the motion of atoms or atom-Drude pairs relative to molecular COMs,\n and the relative motion of atom-Drude pairs.\n An independent Nose-Hoover chain is applied to each type of motion.\n When TGNH is used, the temperatures of molecular, atomic and Drude motion can be printed out with thermo_style command command.
\nNVT simulation with TGNH thermostat
\n"}, {"source1": "./usr/share/doc/lammps/html/fix_tgnh_drude.html", "source2": "./usr/share/doc/lammps/html/fix_tgnh_drude.html", "unified_diff": "@@ -442,15 +442,15 @@\n \nExample input scripts available: examples/PACKAGES/drude
\n \nThese commands are variants of the Nose-Hoover fix styles fix nvt and fix npt for thermalized Drude polarizable\n models. They apply temperature-grouped Nose-Hoover thermostat (TGNH)\n-proposed by (Son). When there are fast vibrational\n+proposed by (Son). When there are fast vibrational\n modes with frequencies close to Drude oscillators (e.g. double bonds or\n out-of-plane torsions), this thermostat can provide better kinetic\n energy equipartitioning.
\nThe difference between TGNH and the original Nose-Hoover thermostat is that,\n TGNH separates the kinetic energy of the group into three contributions:\n molecular center of mass (COM) motion,\n motion of COM of atom-Drude pairs or non-polarizable atoms relative to molecular COM,\n"}, {"source1": "./usr/share/doc/lammps/html/objects.inv", "source2": "./usr/share/doc/lammps/html/objects.inv", "unified_diff": null, "details": [{"source1": "Sphinx inventory", "source2": "Sphinx inventory", "unified_diff": "@@ -1,12 +1,13 @@\n # Sphinx inventory version 2\n # Project: LAMMPS\n # Version: 7 Feb 2024\n # The remainder of this file is compressed using zlib.\n #\u03b6J9k\u000bnS\u001e]X\u0005\\)d?$a<`\u001crN\u001c\u0015LgL\\o\u0019eY6:HV\u007f['e\u0529e6e\u012cG\u025e]L\u001eY\u9452\u0446$\u007fM\u001a\u0012pLv\u000b\u0016;a\u001c;hWJ\u0016K<84\u0411RX\u0010\u0001m!\u0007#hhHt#W=Rs}z4!!Q8\u0002v)E\u0007M1y|LrS\u000bW~\t\u001c+?b_-\b#e?D\u8ad6\u0549W}x)M\u0002\u0011IMo\u001a\u007fI*E\u0012f1\u0014aT5\u000e$c\u0012\u02a5g8'\u0181F\u000bnT=\u01e4oU\u06ff_\ub9ebNO0bh>\u0004';?]w\u000f?@;~\u0017/dR\u7b33\u0399S\u0003s\u0272\u0002X&\u505c\u03b3\u0013\u022f\"\"\u0017\b=Fd2H\u0010\u00197;'Rc\u0012\u0011\u46dd+\u0093Swu*+LbEZ\u0016I<-\u000b;\bC\u0017\u0012ET}\b\u001f\u001d\u001e\\swAt\u0014\f7L4k3RRtA\u0004X2>N4\u0018[\b\u0012e\u001e2\u0012\u0013r|h:\u001e]/'cq\u000eV\u0002y\u000e\u00023r\t\u0006#n|{W\u001e9V\u076bmt\u0407\u0019,\u001eN'B\u000fl\u000bwyd@'\u0011/`H\u000e@\u000fgtG\u0015-6x\u000e8\u00062\u03b1\u5f38k\u0005L* $ppVn\u00168\u0018}\u0016B;7<:|Xb\u001f\u0005<\u03e0Q\u0019U@?\u019c?]a\u0002\n+#\"@]\u042b?S`\u0000\u007f*\u00c3TL\f\u0003\u0017:\u0670j\fm\u0011\u000b\u001dzFT\u0015\u020d\u0003\u0000}xS?O\u001a{+\u0653[:N+{N^\u0014czSP@\u0004\u0001|\u0011\u00149\u000b\u0442\u007fT+\u001cn*eoW0e\f\u0018zj\u0015\u0617>\u000fOC\t=\u0007\u0006?\r^\u0203f\u0006q\u02c0\u0010<,\u0018K'\u0007\u0005ur;\u0015ams[Kw}\u07f8\u0016\u05fcn\u0015\r\u0017\u0019`A?F\u0000'tKc\u0016\u001cL<\u001a\u0002@9\u0010\u02c4{\u0013Iz\u001e*X\u000bkq\u07c1\u001aSa;\u00061go,]RO|p\u016b5\u0013DmY+\f??6\u0003\u0013\u0006P]\u0016x\u00075\u0217w?x\u02f0|L\u052c;\u0007Rs o\u73f9R\u043a> 80U\u0018\n+Ta\u0018d0h(]^]M?\u001b0\u000e/\u0014^\u001f_p\u02e9Xt\u001e\u0011Fa\u001bTG\u0002@g>\u0017\u03548j0-0\u001f\u0019\twC\u06a3\u007f\u0013