diff --git a/.buildinfo b/.buildinfo index d53acc1..8e5e561 100644 --- a/.buildinfo +++ b/.buildinfo @@ -1,4 +1,4 @@ # Sphinx build info version 1 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. -config: 8e51fdff7ac2906686357e234af1ed99 +config: 4b088640910fec7492f1f2546e7a4525 tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/_modules/index.html b/_modules/index.html index c82a8b9..7f2f2b3 100644 --- a/_modules/index.html +++ b/_modules/index.html @@ -7,7 +7,7 @@ - Overview: module code — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Overview: module code — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/custom.html b/_modules/lammps_step/custom.html index 11ebe88..79ee800 100644 --- a/_modules/lammps_step/custom.html +++ b/_modules/lammps_step/custom.html @@ -7,7 +7,7 @@ - lammps_step.custom — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.custom — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/custom_parameters.html b/_modules/lammps_step/custom_parameters.html index fd83c67..36fd1ab 100644 --- a/_modules/lammps_step/custom_parameters.html +++ b/_modules/lammps_step/custom_parameters.html @@ -7,7 +7,7 @@ - lammps_step.custom_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.custom_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/custom_step.html b/_modules/lammps_step/custom_step.html index a0690b3..838fdb3 100644 --- a/_modules/lammps_step/custom_step.html +++ b/_modules/lammps_step/custom_step.html @@ -7,7 +7,7 @@ - lammps_step.custom_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.custom_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/energy.html b/_modules/lammps_step/energy.html index 82d00ea..50a4887 100644 --- a/_modules/lammps_step/energy.html +++ b/_modules/lammps_step/energy.html @@ -7,7 +7,7 @@ - lammps_step.energy — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.energy — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/energy_parameters.html b/_modules/lammps_step/energy_parameters.html index d5761e0..202651a 100644 --- a/_modules/lammps_step/energy_parameters.html +++ b/_modules/lammps_step/energy_parameters.html @@ -7,7 +7,7 @@ - lammps_step.energy_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.energy_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/energy_step.html b/_modules/lammps_step/energy_step.html index 39eacc0..68e53f5 100644 --- a/_modules/lammps_step/energy_step.html +++ b/_modules/lammps_step/energy_step.html @@ -7,7 +7,7 @@ - lammps_step.energy_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.energy_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/heat_flux.html b/_modules/lammps_step/heat_flux.html index 43b3b03..7a0b2ac 100644 --- a/_modules/lammps_step/heat_flux.html +++ b/_modules/lammps_step/heat_flux.html @@ -7,7 +7,7 @@ - lammps_step.heat_flux — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.heat_flux — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/heat_flux_parameters.html b/_modules/lammps_step/heat_flux_parameters.html index 2df2ae6..9ec1b37 100644 --- a/_modules/lammps_step/heat_flux_parameters.html +++ b/_modules/lammps_step/heat_flux_parameters.html @@ -7,7 +7,7 @@ - lammps_step.heat_flux_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.heat_flux_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/heat_flux_step.html b/_modules/lammps_step/heat_flux_step.html index 2dae7c4..439413d 100644 --- a/_modules/lammps_step/heat_flux_step.html +++ b/_modules/lammps_step/heat_flux_step.html @@ -7,7 +7,7 @@ - lammps_step.heat_flux_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.heat_flux_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/initialization.html b/_modules/lammps_step/initialization.html index 7cee9b6..4523617 100644 --- a/_modules/lammps_step/initialization.html +++ b/_modules/lammps_step/initialization.html @@ -7,7 +7,7 @@ - lammps_step.initialization — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.initialization — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/initialization_parameters.html b/_modules/lammps_step/initialization_parameters.html index 381a1e6..24a4f66 100644 --- a/_modules/lammps_step/initialization_parameters.html +++ b/_modules/lammps_step/initialization_parameters.html @@ -7,7 +7,7 @@ - lammps_step.initialization_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.initialization_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/initialization_step.html b/_modules/lammps_step/initialization_step.html index f1c04b2..312f3c5 100644 --- a/_modules/lammps_step/initialization_step.html +++ b/_modules/lammps_step/initialization_step.html @@ -7,7 +7,7 @@ - lammps_step.initialization_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.initialization_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/installer.html b/_modules/lammps_step/installer.html index d8a6c39..df67483 100644 --- a/_modules/lammps_step/installer.html +++ b/_modules/lammps_step/installer.html @@ -7,7 +7,7 @@ - lammps_step.installer — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.installer — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/lammps.html b/_modules/lammps_step/lammps.html index 10ec543..145e881 100644 --- a/_modules/lammps_step/lammps.html +++ b/_modules/lammps_step/lammps.html @@ -7,7 +7,7 @@ - lammps_step.lammps — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.lammps — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/lammps_step.html b/_modules/lammps_step/lammps_step.html index fd0c9b6..05cd2bf 100644 --- a/_modules/lammps_step/lammps_step.html +++ b/_modules/lammps_step/lammps_step.html @@ -7,7 +7,7 @@ - lammps_step.lammps_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.lammps_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/lammps_units.html b/_modules/lammps_step/lammps_units.html index b01e989..e7fcb91 100644 --- a/_modules/lammps_step/lammps_units.html +++ b/_modules/lammps_step/lammps_units.html @@ -7,7 +7,7 @@ - lammps_step.lammps_units — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.lammps_units — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/minimization.html b/_modules/lammps_step/minimization.html index e60cf7c..f41b6d5 100644 --- a/_modules/lammps_step/minimization.html +++ b/_modules/lammps_step/minimization.html @@ -7,7 +7,7 @@ - lammps_step.minimization — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.minimization — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/minimization_step.html b/_modules/lammps_step/minimization_step.html index 3e6f97d..efd4e49 100644 --- a/_modules/lammps_step/minimization_step.html +++ b/_modules/lammps_step/minimization_step.html @@ -7,7 +7,7 @@ - lammps_step.minimization_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.minimization_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/npt.html b/_modules/lammps_step/npt.html index 20bb0d0..9a775ae 100644 --- a/_modules/lammps_step/npt.html +++ b/_modules/lammps_step/npt.html @@ -7,7 +7,7 @@ - lammps_step.npt — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.npt — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/npt_parameters.html b/_modules/lammps_step/npt_parameters.html index eb34435..573def0 100644 --- a/_modules/lammps_step/npt_parameters.html +++ b/_modules/lammps_step/npt_parameters.html @@ -7,7 +7,7 @@ - lammps_step.npt_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.npt_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/npt_step.html b/_modules/lammps_step/npt_step.html index 4ef27fe..d3c3be4 100644 --- a/_modules/lammps_step/npt_step.html +++ b/_modules/lammps_step/npt_step.html @@ -7,7 +7,7 @@ - lammps_step.npt_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.npt_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nve.html b/_modules/lammps_step/nve.html index 059d141..5be6746 100644 --- a/_modules/lammps_step/nve.html +++ b/_modules/lammps_step/nve.html @@ -7,7 +7,7 @@ - lammps_step.nve — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nve — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nve_parameters.html b/_modules/lammps_step/nve_parameters.html index c678ff1..46d26b5 100644 --- a/_modules/lammps_step/nve_parameters.html +++ b/_modules/lammps_step/nve_parameters.html @@ -7,7 +7,7 @@ - lammps_step.nve_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nve_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nve_step.html b/_modules/lammps_step/nve_step.html index de99c71..010b0e3 100644 --- a/_modules/lammps_step/nve_step.html +++ b/_modules/lammps_step/nve_step.html @@ -7,7 +7,7 @@ - lammps_step.nve_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nve_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nvt.html b/_modules/lammps_step/nvt.html index adb7f92..6ee933b 100644 --- a/_modules/lammps_step/nvt.html +++ b/_modules/lammps_step/nvt.html @@ -7,7 +7,7 @@ - lammps_step.nvt — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nvt — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nvt_parameters.html b/_modules/lammps_step/nvt_parameters.html index e28edb6..c7f2a51 100644 --- a/_modules/lammps_step/nvt_parameters.html +++ b/_modules/lammps_step/nvt_parameters.html @@ -7,7 +7,7 @@ - lammps_step.nvt_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nvt_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/nvt_step.html b/_modules/lammps_step/nvt_step.html index 796090c..80ec50c 100644 --- a/_modules/lammps_step/nvt_step.html +++ b/_modules/lammps_step/nvt_step.html @@ -7,7 +7,7 @@ - lammps_step.nvt_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.nvt_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_custom.html b/_modules/lammps_step/tk_custom.html index 3724be4..ae497b0 100644 --- a/_modules/lammps_step/tk_custom.html +++ b/_modules/lammps_step/tk_custom.html @@ -7,7 +7,7 @@ - lammps_step.tk_custom — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_custom — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_energy.html b/_modules/lammps_step/tk_energy.html index acd9230..cf94712 100644 --- a/_modules/lammps_step/tk_energy.html +++ b/_modules/lammps_step/tk_energy.html @@ -7,7 +7,7 @@ - lammps_step.tk_energy — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_energy — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_heat_flux.html b/_modules/lammps_step/tk_heat_flux.html index 7c8a863..96f8272 100644 --- a/_modules/lammps_step/tk_heat_flux.html +++ b/_modules/lammps_step/tk_heat_flux.html @@ -7,7 +7,7 @@ - lammps_step.tk_heat_flux — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_heat_flux — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_initialization.html b/_modules/lammps_step/tk_initialization.html index 33a530c..5a1bcb1 100644 --- a/_modules/lammps_step/tk_initialization.html +++ b/_modules/lammps_step/tk_initialization.html @@ -7,7 +7,7 @@ - lammps_step.tk_initialization — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_initialization — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_lammps.html b/_modules/lammps_step/tk_lammps.html index 245b22f..d5d8e9c 100644 --- a/_modules/lammps_step/tk_lammps.html +++ b/_modules/lammps_step/tk_lammps.html @@ -7,7 +7,7 @@ - lammps_step.tk_lammps — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_lammps — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_minimization.html b/_modules/lammps_step/tk_minimization.html index 314b347..a453cd2 100644 --- a/_modules/lammps_step/tk_minimization.html +++ b/_modules/lammps_step/tk_minimization.html @@ -7,7 +7,7 @@ - lammps_step.tk_minimization — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_minimization — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_npt.html b/_modules/lammps_step/tk_npt.html index 4f17fbc..d38d16c 100644 --- a/_modules/lammps_step/tk_npt.html +++ b/_modules/lammps_step/tk_npt.html @@ -7,7 +7,7 @@ - lammps_step.tk_npt — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_npt — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_nve.html b/_modules/lammps_step/tk_nve.html index 8a9799e..97862ff 100644 --- a/_modules/lammps_step/tk_nve.html +++ b/_modules/lammps_step/tk_nve.html @@ -7,7 +7,7 @@ - lammps_step.tk_nve — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_nve — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + @@ -791,10 +791,9 @@

Source code for lammps_step.tk_nve

                 widgets2.append(self["shear stress rate"])
                 row += 1
 
-        sw.align_labels(widgets, sticky=tk.E)
-        sw.align_labels(widgets2, sticky=tk.E)
-        label_width = self["atomic positions"].grid_bbox(0, 0)[2] - 30
-        frame.columnconfigure(0, minsize=label_width)
+ width1 = sw.align_labels(widgets, sticky=tk.E) + width2 = sw.align_labels(widgets2, sticky=tk.E) + frame.columnconfigure(0, minsize=width1 - width2 + 30)
diff --git a/_modules/lammps_step/tk_nvt.html b/_modules/lammps_step/tk_nvt.html index db0c712..7594ed5 100644 --- a/_modules/lammps_step/tk_nvt.html +++ b/_modules/lammps_step/tk_nvt.html @@ -7,7 +7,7 @@ - lammps_step.tk_nvt — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_nvt — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/tk_velocities.html b/_modules/lammps_step/tk_velocities.html index 130b653..c237f4b 100644 --- a/_modules/lammps_step/tk_velocities.html +++ b/_modules/lammps_step/tk_velocities.html @@ -7,7 +7,7 @@ - lammps_step.tk_velocities — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.tk_velocities — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/velocities.html b/_modules/lammps_step/velocities.html index 5587b03..abb9225 100644 --- a/_modules/lammps_step/velocities.html +++ b/_modules/lammps_step/velocities.html @@ -7,7 +7,7 @@ - lammps_step.velocities — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.velocities — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/velocities_parameters.html b/_modules/lammps_step/velocities_parameters.html index acb09b7..031a830 100644 --- a/_modules/lammps_step/velocities_parameters.html +++ b/_modules/lammps_step/velocities_parameters.html @@ -7,7 +7,7 @@ - lammps_step.velocities_parameters — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.velocities_parameters — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_modules/lammps_step/velocities_step.html b/_modules/lammps_step/velocities_step.html index fd828d2..6cc5c53 100644 --- a/_modules/lammps_step/velocities_step.html +++ b/_modules/lammps_step/velocities_step.html @@ -7,7 +7,7 @@ - lammps_step.velocities_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step.velocities_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/_static/documentation_options.js b/_static/documentation_options.js index 2c5449e..c80e19b 100644 --- a/_static/documentation_options.js +++ b/_static/documentation_options.js @@ -1,5 +1,5 @@ const DOCUMENTATION_OPTIONS = { - VERSION: '2024.7.21', + VERSION: '2024.7.21.1', LANGUAGE: 'en', COLLAPSE_INDEX: false, BUILDER: 'html', diff --git a/api/index.html b/api/index.html index 7b23484..27638cc 100644 --- a/api/index.html +++ b/api/index.html @@ -8,7 +8,7 @@ - API Documentation — SEAMM LAMMPS Plug-in 2024.7.21 documentation + API Documentation — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/api/lammps_step.html b/api/lammps_step.html index c22ca8c..b099f05 100644 --- a/api/lammps_step.html +++ b/api/lammps_step.html @@ -8,7 +8,7 @@ - lammps_step package — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step package — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/api/modules.html b/api/modules.html index f150786..1e229e4 100644 --- a/api/modules.html +++ b/api/modules.html @@ -8,7 +8,7 @@ - lammps_step — SEAMM LAMMPS Plug-in 2024.7.21 documentation + lammps_step — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/authors.html b/authors.html index 8611661..8068cbd 100644 --- a/authors.html +++ b/authors.html @@ -8,7 +8,7 @@ - Development Team — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Development Team — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/developer_guide/contributing.html b/developer_guide/contributing.html index 7c884b9..f3609bf 100644 --- a/developer_guide/contributing.html +++ b/developer_guide/contributing.html @@ -8,7 +8,7 @@ - Contributing — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Contributing — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/developer_guide/index.html b/developer_guide/index.html index b8b8653..9fb4e23 100644 --- a/developer_guide/index.html +++ b/developer_guide/index.html @@ -8,7 +8,7 @@ - Developer Documentation — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Developer Documentation — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/developer_guide/installation.html b/developer_guide/installation.html index 4d58e12..704909e 100644 --- a/developer_guide/installation.html +++ b/developer_guide/installation.html @@ -8,7 +8,7 @@ - Installation — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Installation — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/developer_guide/usage.html b/developer_guide/usage.html index 439062c..75ea528 100644 --- a/developer_guide/usage.html +++ b/developer_guide/usage.html @@ -8,7 +8,7 @@ - Usage — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Usage — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/genindex.html b/genindex.html index 1d73883..69d8a7e 100644 --- a/genindex.html +++ b/genindex.html @@ -7,7 +7,7 @@ - Index — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Index — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -45,7 +45,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/getting_started/index.html b/getting_started/index.html index 3ad7eb3..bc801e5 100644 --- a/getting_started/index.html +++ b/getting_started/index.html @@ -8,7 +8,7 @@ - Getting Started — SEAMM LAMMPS Plug-in 2024.7.21 documentation + Getting Started — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + diff --git a/history.html b/history.html index adb0bf1..60a720a 100644 --- a/history.html +++ b/history.html @@ -8,7 +8,7 @@ - History — SEAMM LAMMPS Plug-in 2024.7.21 documentation + History — SEAMM LAMMPS Plug-in 2024.7.21.1 documentation @@ -46,7 +46,7 @@ })(window,document,'script','dataLayer','GTM-PQXXTJ2'); - + @@ -499,12 +499,17 @@

History#

+
2024.7.21.1 – Minor internal change for GUI
    +

  • Switched to new functionality in the SEAMM widgets to simplify the layout of the +trajectories panel.

    • +
+
2024.7.21 – Improved handling of trajectories and results
    -

  • Improved control over the trajectories of positions, veloicties, etc. to allow the +

  • Improved control over the trajectories of positions, velocities, etc. to allow the user to give the number of points in the trajectory rather than the time interval of samples

  • Added volume of the cell to properties, and the cell lengths, density, and volume -for NVE and NVT, where those parameters don’t vary but are nontheless useful in +for NVE and NVT, where those parameters don’t vary but are nonetheless useful in subsequent analysis.

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