Loading doc/src/Errors_messages.rst +6 −0 Original line number Diff line number Diff line Loading @@ -286,6 +286,9 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` *Attempting to rescale a 0.0 temperature* Cannot rescale a temperature that is already 0.0. *Attempting to insert more particles than available lattice points* Self-explanatory. *Bad FENE bond* Two atoms in a FENE bond have become so far apart that the bond cannot be computed. Loading Loading @@ -486,6 +489,9 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` Only systems with bonds that can be changed can be used. Atom\_style template does not qualify. *Bond/react: Invalid template atom ID in map file* Atom IDs in molecule templates range from 1 to the number of atoms in the template. *Bond/react: Rmax cutoff is longer than pairwise cutoff* This is not allowed because bond creation is done using the pairwise neighbor list. Loading doc/src/Errors_warnings.rst +3 −0 Original line number Diff line number Diff line Loading @@ -683,6 +683,9 @@ This will most likely cause errors in kinetic fluctuations. *Slab correction not needed for MSM* Slab correction is intended to be used with Ewald or PPPM and is not needed by MSM. *Specifying an 'subset' value of '0' is equivalent to no 'subset' keyword* Self-explanatory. *System is not charge neutral, net charge = %g* The total charge on all atoms on the system is not 0.0. For some KSpace solvers this is only a warning. Loading doc/src/Howto_bash.rst +2 −2 Original line number Diff line number Diff line Loading @@ -115,8 +115,8 @@ Files in Ubuntu on Windows ^^^^^^^^^^^^^^^^^^^^^^^^^^ When you launch "Bash on Ubuntu on Windows" you will start out in your Linux user home directory /home/\ **username**\ . You can access your Windows user directory using the /mnt/c/Users/\ **username** folder. user home directory /home/[username]\ . You can access your Windows user directory using the /mnt/c/Users/[username] folder. Download LAMMPS ^^^^^^^^^^^^^^^ Loading doc/src/compute_angle_local.rst +4 −4 Original line number Diff line number Diff line Loading @@ -81,12 +81,12 @@ and output the statistics in various ways: compute 1 all property/local aatom1 aatom2 aatom3 atype compute 2 all angle/local eng theta v_cos v_cossq set theta t dump 1 all local 100 tmp.dump c_1**\*** c_2**\*** dump 1 all local 100 tmp.dump c_1[*] c_2[*] compute 3 all reduce ave c_2**\*** thermo_style custom step temp press c_3**\*** compute 3 all reduce ave c_2[*] thermo_style custom step temp press c_3[*] fix 10 all ave/histo 10 10 100 -1 1 20 c_2\ **3** mode vector file tmp.histo fix 10 all ave/histo 10 10 100 -1 1 20 c_2[3] mode vector file tmp.histo The :doc:`dump local <dump>` command will output the energy, angle, cosine(angle), cosine\^2(angle) for every angle in the system. The Loading doc/src/compute_bond_local.rst +4 −4 Original line number Diff line number Diff line Loading @@ -134,12 +134,12 @@ output the statistics in various ways: compute 1 all property/local batom1 batom2 btype compute 2 all bond/local engpot dist v_dsq set dist d dump 1 all local 100 tmp.dump c_1**\*** c_2**\*** dump 1 all local 100 tmp.dump c_1[*] c_2[*] compute 3 all reduce ave c_2**\*** thermo_style custom step temp press c_3**\*** compute 3 all reduce ave c_2[*] thermo_style custom step temp press c_3[*] fix 10 all ave/histo 10 10 100 0 6 20 c_2\ **3** mode vector file tmp.histo fix 10 all ave/histo 10 10 100 0 6 20 c_2[3] mode vector file tmp.histo The :doc:`dump local <dump>` command will output the energy, distance, distance\^2 for every bond in the system. The Loading Loading
doc/src/Errors_messages.rst +6 −0 Original line number Diff line number Diff line Loading @@ -286,6 +286,9 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` *Attempting to rescale a 0.0 temperature* Cannot rescale a temperature that is already 0.0. *Attempting to insert more particles than available lattice points* Self-explanatory. *Bad FENE bond* Two atoms in a FENE bond have become so far apart that the bond cannot be computed. Loading Loading @@ -486,6 +489,9 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` Only systems with bonds that can be changed can be used. Atom\_style template does not qualify. *Bond/react: Invalid template atom ID in map file* Atom IDs in molecule templates range from 1 to the number of atoms in the template. *Bond/react: Rmax cutoff is longer than pairwise cutoff* This is not allowed because bond creation is done using the pairwise neighbor list. Loading
doc/src/Errors_warnings.rst +3 −0 Original line number Diff line number Diff line Loading @@ -683,6 +683,9 @@ This will most likely cause errors in kinetic fluctuations. *Slab correction not needed for MSM* Slab correction is intended to be used with Ewald or PPPM and is not needed by MSM. *Specifying an 'subset' value of '0' is equivalent to no 'subset' keyword* Self-explanatory. *System is not charge neutral, net charge = %g* The total charge on all atoms on the system is not 0.0. For some KSpace solvers this is only a warning. Loading
doc/src/Howto_bash.rst +2 −2 Original line number Diff line number Diff line Loading @@ -115,8 +115,8 @@ Files in Ubuntu on Windows ^^^^^^^^^^^^^^^^^^^^^^^^^^ When you launch "Bash on Ubuntu on Windows" you will start out in your Linux user home directory /home/\ **username**\ . You can access your Windows user directory using the /mnt/c/Users/\ **username** folder. user home directory /home/[username]\ . You can access your Windows user directory using the /mnt/c/Users/[username] folder. Download LAMMPS ^^^^^^^^^^^^^^^ Loading
doc/src/compute_angle_local.rst +4 −4 Original line number Diff line number Diff line Loading @@ -81,12 +81,12 @@ and output the statistics in various ways: compute 1 all property/local aatom1 aatom2 aatom3 atype compute 2 all angle/local eng theta v_cos v_cossq set theta t dump 1 all local 100 tmp.dump c_1**\*** c_2**\*** dump 1 all local 100 tmp.dump c_1[*] c_2[*] compute 3 all reduce ave c_2**\*** thermo_style custom step temp press c_3**\*** compute 3 all reduce ave c_2[*] thermo_style custom step temp press c_3[*] fix 10 all ave/histo 10 10 100 -1 1 20 c_2\ **3** mode vector file tmp.histo fix 10 all ave/histo 10 10 100 -1 1 20 c_2[3] mode vector file tmp.histo The :doc:`dump local <dump>` command will output the energy, angle, cosine(angle), cosine\^2(angle) for every angle in the system. The Loading
doc/src/compute_bond_local.rst +4 −4 Original line number Diff line number Diff line Loading @@ -134,12 +134,12 @@ output the statistics in various ways: compute 1 all property/local batom1 batom2 btype compute 2 all bond/local engpot dist v_dsq set dist d dump 1 all local 100 tmp.dump c_1**\*** c_2**\*** dump 1 all local 100 tmp.dump c_1[*] c_2[*] compute 3 all reduce ave c_2**\*** thermo_style custom step temp press c_3**\*** compute 3 all reduce ave c_2[*] thermo_style custom step temp press c_3[*] fix 10 all ave/histo 10 10 100 0 6 20 c_2\ **3** mode vector file tmp.histo fix 10 all ave/histo 10 10 100 0 6 20 c_2[3] mode vector file tmp.histo The :doc:`dump local <dump>` command will output the energy, distance, distance\^2 for every bond in the system. The Loading
