Loading doc/src/fix_bond_break.txt +2 −2 Original line number Diff line number Diff line Loading @@ -79,8 +79,8 @@ part of bonds, angles, etc. NOTE: One data structure that is not updated when a bond breaks are the molecule IDs stored by each atom. Even though one molecule becomes two moleclues due to the broken bond, all atoms in both new moleclues retain their original molecule IDs. becomes two molecules due to the broken bond, all atoms in both new molecules retain their original molecule IDs. Computationally, each timestep this fix operates, it loops over all the bonds in the system and computes distances between pairs of bonded Loading doc/src/fix_bond_create.txt +2 −2 Original line number Diff line number Diff line Loading @@ -118,8 +118,8 @@ of new bonds, angles, etc. NOTE: One data structure that is not updated when a bond breaks are the molecule IDs stored by each atom. Even though two molecules become one moleclue due to the created bond, all atoms in the new moleclue retain their original molecule IDs. become one molecule due to the created bond, all atoms in the new molecule retain their original molecule IDs. If the {atype} keyword is used and if an angle potential is defined via the "angle_style"_angle_style.html command, then any new 3-body Loading doc/src/fix_deposit.txt +1 −1 Original line number Diff line number Diff line Loading @@ -15,7 +15,7 @@ fix ID group-ID deposit N type M seed keyword values ... :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l deposit = style name of this fix command :l N = # of atoms or molecules to insert :l type = atom type to assign to inserted atoms (offset for moleclue insertion) :l type = atom type to assign to inserted atoms (offset for molecule insertion) :l M = insert a single atom or molecule every M steps :l seed = random # seed (positive integer) :l one or more keyword/value pairs may be appended to args :l Loading doc/src/fix_evaporate.txt +1 −1 Original line number Diff line number Diff line Loading @@ -31,7 +31,7 @@ fix 1 solvent evaporate 1000 10 surface 38277 molecule yes :pre [Description:] Remove M atoms from the simulation every N steps. This can be used, for example, to model evaporation of solvent particles or moleclues for example, to model evaporation of solvent particles or molecules (i.e. drying) of a system. Every N steps, the number of atoms in the fix group and within the specifed region are counted. M of these are chosen at random and deleted. If there are less than M eligible Loading Loading
doc/src/fix_bond_break.txt +2 −2 Original line number Diff line number Diff line Loading @@ -79,8 +79,8 @@ part of bonds, angles, etc. NOTE: One data structure that is not updated when a bond breaks are the molecule IDs stored by each atom. Even though one molecule becomes two moleclues due to the broken bond, all atoms in both new moleclues retain their original molecule IDs. becomes two molecules due to the broken bond, all atoms in both new molecules retain their original molecule IDs. Computationally, each timestep this fix operates, it loops over all the bonds in the system and computes distances between pairs of bonded Loading
doc/src/fix_bond_create.txt +2 −2 Original line number Diff line number Diff line Loading @@ -118,8 +118,8 @@ of new bonds, angles, etc. NOTE: One data structure that is not updated when a bond breaks are the molecule IDs stored by each atom. Even though two molecules become one moleclue due to the created bond, all atoms in the new moleclue retain their original molecule IDs. become one molecule due to the created bond, all atoms in the new molecule retain their original molecule IDs. If the {atype} keyword is used and if an angle potential is defined via the "angle_style"_angle_style.html command, then any new 3-body Loading
doc/src/fix_deposit.txt +1 −1 Original line number Diff line number Diff line Loading @@ -15,7 +15,7 @@ fix ID group-ID deposit N type M seed keyword values ... :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l deposit = style name of this fix command :l N = # of atoms or molecules to insert :l type = atom type to assign to inserted atoms (offset for moleclue insertion) :l type = atom type to assign to inserted atoms (offset for molecule insertion) :l M = insert a single atom or molecule every M steps :l seed = random # seed (positive integer) :l one or more keyword/value pairs may be appended to args :l Loading
doc/src/fix_evaporate.txt +1 −1 Original line number Diff line number Diff line Loading @@ -31,7 +31,7 @@ fix 1 solvent evaporate 1000 10 surface 38277 molecule yes :pre [Description:] Remove M atoms from the simulation every N steps. This can be used, for example, to model evaporation of solvent particles or moleclues for example, to model evaporation of solvent particles or molecules (i.e. drying) of a system. Every N steps, the number of atoms in the fix group and within the specifed region are counted. M of these are chosen at random and deleted. If there are less than M eligible Loading
