From 25b25940a38586905ed7772768bb2a3cc7b1ef48 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 10 Feb 2023 10:22:33 +0100 Subject: [PATCH 1/5] bump version number to 23.02 [ci skip] --- src/CMakeLists.txt | 4 ++-- src/version_liggghts.txt | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 05c897f4..3d759765 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -5,8 +5,8 @@ OPTION(USE_SUPERQUADRIC "Superquadric particles" OFF) OPTION(USE_OPENMP "OpenMP parallelization" OFF) OPTION(TESTING "TESTING" OFF) -SET(LIGGGHTS_MAJOR_VERSION 21) -SET(LIGGGHTS_MINOR_VERSION 11) +SET(LIGGGHTS_MAJOR_VERSION 23) +SET(LIGGGHTS_MINOR_VERSION 02) SET(LIGGGHTS_PATCH_VERSION 0) SET(LIGGGHTS_VERSION ${LIGGGHTS_MAJOR_VERSION}.${LIGGGHTS_MINOR_VERSION}.${LIGGGHTS_PATCH_VERSION}) MESSAGE(STATUS "${LIGGGHTS_VERSION}") diff --git a/src/version_liggghts.txt b/src/version_liggghts.txt index a6cf7c3a..5be08723 100644 --- a/src/version_liggghts.txt +++ b/src/version_liggghts.txt @@ -1 +1 @@ -21.11 +23.02 From 60d9225fa00924046bcc2e1a2f8daf1e99dffebc Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 10 Feb 2023 16:56:57 +0100 Subject: [PATCH 2/5] fix stl file name accidentially got renamed in commit 09c3153 --- .../brazil_nut_effect/Metzgeretal/meshes/{*.stl => bottom.stl} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename examples/LIGGGHTS/PFM/segregation/brazil_nut_effect/Metzgeretal/meshes/{*.stl => bottom.stl} (100%) diff --git a/examples/LIGGGHTS/PFM/segregation/brazil_nut_effect/Metzgeretal/meshes/*.stl b/examples/LIGGGHTS/PFM/segregation/brazil_nut_effect/Metzgeretal/meshes/bottom.stl similarity index 100% rename from examples/LIGGGHTS/PFM/segregation/brazil_nut_effect/Metzgeretal/meshes/*.stl rename to examples/LIGGGHTS/PFM/segregation/brazil_nut_effect/Metzgeretal/meshes/bottom.stl From d32235df7bedf2a419142418b6c800890a041455 Mon Sep 17 00:00:00 2001 From: Daniel <2929574+danielque@users.noreply.github.com> Date: Mon, 13 Feb 2023 16:25:58 +0100 Subject: [PATCH 3/5] reflect changes of k0 in script reflect the change of the hardcoded values in commit 999bf66f43543d80176a5367cead45709ed4f9c3 --- .../PFM/tests/chemistry/low_temp/in.liggghts_run_3layers | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/LIGGGHTS/PFM/tests/chemistry/low_temp/in.liggghts_run_3layers b/examples/LIGGGHTS/PFM/tests/chemistry/low_temp/in.liggghts_run_3layers index 88cf9db8..8df65579 100644 --- a/examples/LIGGGHTS/PFM/tests/chemistry/low_temp/in.liggghts_run_3layers +++ b/examples/LIGGGHTS/PFM/tests/chemistry/low_temp/in.liggghts_run_3layers @@ -71,7 +71,7 @@ fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 & # chemical properties for unreacted shrinking core model # these are actually hard-coded for low T: # w->Fe m->w h->m -fix k0_CO all property/global k0_cfd5 vector 150 150 150 +fix k0_CO all property/global k0_cfd5 vector 100 100 150 fix Ea_CO all property/global Ea_cfd5 vector 70000 70000 75000 # particle porosity/tortuosity/pore diameter From 496fb127c03159a5f411dccd8bdfb67a1d57fa29 Mon Sep 17 00:00:00 2001 From: danielque Date: Tue, 14 Feb 2023 10:43:25 +0100 Subject: [PATCH 4/5] add test harness run.config to lubrication test case --- .../tests/contact_models/nijssen/run.config | 32 +++++++++++++++++++ 1 file changed, 32 insertions(+) create mode 100644 examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config diff --git a/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config new file mode 100644 index 00000000..b0037b1b --- /dev/null +++ b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config @@ -0,0 +1,32 @@ +{ + "runs": [ + { + "name" : "lubrication", + "input_script" : "in.lubrication", + "type" : "serial", + "variables" : { + "NORMALMODEL" : "hertz/lubricated", + "TANGENTIALMODEL" : "history/lubricated", + "MODELOPTION" : "limitForce", + "MODELOPTIONSETTING" : "off" + }, + "post_scripts" : ["processData.m"], + "data" : { + "series" : [ + {"name" : "rebound", "file" : "hertz/lubricated_rebound_properties.txt", "columns" : ["Theta", "Stokes", "etot", "en", "et", "sigmaeff", "thetai"]}, + {"name" : "displace", "file" : "force_displacement.txt", "columns" : ["deltat", "Ft"]}, + {"name" : "time", "file" : "force_time.txt", "columns" : ["usec", "Fn"]} + ], + "plots" : [ + {"name" : "reboundetot", "title" : "Total coeff. of restitution", "xdata" : "rebound.Theta", "ydata" : ["rebound.etot"], "xlabel" : "Impact angle", "ylabel" : "e_tot", "legend" : ["etot"]}, + {"name" : "rebounden", "title" : "Normal coeff. of restitution", "xdata" : "rebound.Theta", "ydata" : ["rebound.en"], "xlabel" : "Impact angle", "ylabel" : "e_n", "legend" : ["en"]}, + {"name" : "reboundet", "title" : "Tangential coeff. of restitution", "xdata" : "rebound.Theta", "ydata" : ["rebound.et"], "xlabel" : "Impact angle", "ylabel" : "e_t", "legend" : ["et"]}, + {"name" : "reboundsigmaeff", "title" : "Eff. rebound angle", "xdata" : "rebound.Theta", "ydata" : ["rebound.sigmaeff"], "xlabel" : "Impact angle", "ylabel" : "sigma_eff", "legend" : ["sigmaeff"]}, + {"name" : "reboundthetai", "title" : "Rebound angle", "xdata" : "rebound.Theta", "ydata" : ["rebound.thetai"], "xlabel" : "Impact angle", "ylabel" : "theta_i", "legend" : ["thetai"]}, + {"name" : "displacedelta", "title" : "Tangential force-displacement", "xdata" : "displace.deltat", "ydata" : ["displace.Ft"], "xlabel" : "Tangential displacement [um]", "ylabel" : "Tangential force [N]", "legend" : ["Ft"]}, + {"name" : "forcetime", "title" : "Force-time", "xdata" : "time.usec", "ydata" : ["time.Fn"], "xlabel" : "Time [us]", "ylabel" : "Contact force [N]", "legend" : ["Fn"]} + ] + } + } + ] +} From c8b5501e9ffdc385dd4e9469ce4ee2b6db0c5e12 Mon Sep 17 00:00:00 2001 From: danielque Date: Tue, 14 Feb 2023 13:13:05 +0100 Subject: [PATCH 5/5] fix comments/labelling in postprocessing/run.config --- .../PFM/tests/contact_models/chung/test01/processData.m | 4 ++-- .../LIGGGHTS/PFM/tests/contact_models/nijssen/processData.m | 4 ++-- .../LIGGGHTS/PFM/tests/contact_models/nijssen/run.config | 6 +++--- 3 files changed, 7 insertions(+), 7 deletions(-) diff --git a/examples/LIGGGHTS/PFM/tests/contact_models/chung/test01/processData.m b/examples/LIGGGHTS/PFM/tests/contact_models/chung/test01/processData.m index 4837c5c1..fe084c06 100755 --- a/examples/LIGGGHTS/PFM/tests/contact_models/chung/test01/processData.m +++ b/examples/LIGGGHTS/PFM/tests/contact_models/chung/test01/processData.m @@ -35,9 +35,9 @@ for ii=1:nFiles line = fgetl(fin); line = fgetl(fin); line = fgetl(fin); line = fgetl(fin); A = sscanf(line,'%f',[1 4]); - % write normal overlap (micrometer) and Force (N) to the new file + % write normal overlap (micrometer) and Force (kN) to the new file fprintf(fout1,'%f %f\n',A(4)*1000000,-A(1)*0.001); - % write time (microseconds) and Force (N) to the new file + % write time (microseconds) and Force (kN) to the new file fprintf(fout2,'%f %f\n',(ii-1),-A(1)*0.001); end fclose(fin); diff --git a/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/processData.m b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/processData.m index d1196bfa..083b5c70 100755 --- a/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/processData.m +++ b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/processData.m @@ -36,9 +36,9 @@ for ii=1:nFiles line = fgetl(fin); line = fgetl(fin); A = sscanf(line,'%f',[1 4]); % write normal overlap (micrometer) and Force (N) to the new file - fprintf(fout1,'%f %f\n',A(4)*1000000,A(1)); + fprintf(fout1,'%f %f\n',A(4)*1000000,-A(1)); % write time (microseconds) and Force (N) to the new file - fprintf(fout2,'%f %f\n',(ii-1)*5,A(1)); + fprintf(fout2,'%f %f\n',(ii-1)*5,-A(1)); end fclose(fin); end diff --git a/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config index b0037b1b..163b36da 100644 --- a/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config +++ b/examples/LIGGGHTS/PFM/tests/contact_models/nijssen/run.config @@ -14,7 +14,7 @@ "data" : { "series" : [ {"name" : "rebound", "file" : "hertz/lubricated_rebound_properties.txt", "columns" : ["Theta", "Stokes", "etot", "en", "et", "sigmaeff", "thetai"]}, - {"name" : "displace", "file" : "force_displacement.txt", "columns" : ["deltat", "Ft"]}, + {"name" : "displace", "file" : "force_displacement.txt", "columns" : ["deltan", "Fn"]}, {"name" : "time", "file" : "force_time.txt", "columns" : ["usec", "Fn"]} ], "plots" : [ @@ -23,8 +23,8 @@ {"name" : "reboundet", "title" : "Tangential coeff. of restitution", "xdata" : "rebound.Theta", "ydata" : ["rebound.et"], "xlabel" : "Impact angle", "ylabel" : "e_t", "legend" : ["et"]}, {"name" : "reboundsigmaeff", "title" : "Eff. rebound angle", "xdata" : "rebound.Theta", "ydata" : ["rebound.sigmaeff"], "xlabel" : "Impact angle", "ylabel" : "sigma_eff", "legend" : ["sigmaeff"]}, {"name" : "reboundthetai", "title" : "Rebound angle", "xdata" : "rebound.Theta", "ydata" : ["rebound.thetai"], "xlabel" : "Impact angle", "ylabel" : "theta_i", "legend" : ["thetai"]}, - {"name" : "displacedelta", "title" : "Tangential force-displacement", "xdata" : "displace.deltat", "ydata" : ["displace.Ft"], "xlabel" : "Tangential displacement [um]", "ylabel" : "Tangential force [N]", "legend" : ["Ft"]}, - {"name" : "forcetime", "title" : "Force-time", "xdata" : "time.usec", "ydata" : ["time.Fn"], "xlabel" : "Time [us]", "ylabel" : "Contact force [N]", "legend" : ["Fn"]} + {"name" : "displacedelta", "title" : "Normal force-displacement", "xdata" : "displace.deltan", "ydata" : ["displace.Fn"], "xlabel" : "Normal contact displacement [um]", "ylabel" : "Normal contact force [N]", "legend" : ["Fn"]}, + {"name" : "forcetime", "title" : "Normal force-time", "xdata" : "time.usec", "ydata" : ["time.Fn"], "xlabel" : "Time [us]", "ylabel" : "Normal contact force [N]", "legend" : ["Fn"]} ] } }