Loading doc/src/fix_bond_create.rst +15 −14 Original line number Diff line number Diff line Loading @@ -2,6 +2,7 @@ fix bond/create command ======================= fix bond/create/angle command ============================= Loading Loading @@ -116,16 +117,14 @@ actually created. The *fraction* setting must be a value between 0.0 and 1.0. A uniform random number between 0.0 and 1.0 is generated and the eligible bond is only created if the random number < fraction. The *aconstrain* keyword is only available when LAMMPS was built with the FixBondCreateAngle class. It allows to specify a minimal and maximal angle *amin* and *amax* between the two prospective bonding partners and a third particle that is already bonded to one of the two partners. Such a criterion can be important, for instance when new angle potentials are simultaneously introduced after the formation of the new bond. Without a restriction on the permissible angle, and for stiffer angle potentials very large energies can arise and lead to uncontrolled behavior. The *aconstrain* keyword is only available with the fix bond/create/angle command. It allows to specify a minimal and maximal angle *amin* and *amax* between the two prospective bonding partners and a third particle that is already bonded to one of the two partners. Such a criterion can be important when new angles are defined together with the formation of a new bond. Without a restriction on the permissible angle, and for stiffer angle potentials, very large energies can arise and lead to uncontrolled behavior. Any bond that is created is assigned a bond type of *bondtype*. Loading Loading @@ -235,12 +234,14 @@ You can dump out snapshots of the current bond topology via the :doc:`dump local **Restart, fix_modify, output, run start/stop, minimize info:** No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix. No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix. This fix computes two statistics which it stores in a global vector of length 2, which can be accessed by various :doc:`output commands <Howto_output>`. The vector values calculated by this fix are "intensive". length 2, which can be accessed by various :doc:`output commands <Howto_output>`. The vector values calculated by this fix are "intensive". These are the 2 quantities: Loading Loading
doc/src/fix_bond_create.rst +15 −14 Original line number Diff line number Diff line Loading @@ -2,6 +2,7 @@ fix bond/create command ======================= fix bond/create/angle command ============================= Loading Loading @@ -116,16 +117,14 @@ actually created. The *fraction* setting must be a value between 0.0 and 1.0. A uniform random number between 0.0 and 1.0 is generated and the eligible bond is only created if the random number < fraction. The *aconstrain* keyword is only available when LAMMPS was built with the FixBondCreateAngle class. It allows to specify a minimal and maximal angle *amin* and *amax* between the two prospective bonding partners and a third particle that is already bonded to one of the two partners. Such a criterion can be important, for instance when new angle potentials are simultaneously introduced after the formation of the new bond. Without a restriction on the permissible angle, and for stiffer angle potentials very large energies can arise and lead to uncontrolled behavior. The *aconstrain* keyword is only available with the fix bond/create/angle command. It allows to specify a minimal and maximal angle *amin* and *amax* between the two prospective bonding partners and a third particle that is already bonded to one of the two partners. Such a criterion can be important when new angles are defined together with the formation of a new bond. Without a restriction on the permissible angle, and for stiffer angle potentials, very large energies can arise and lead to uncontrolled behavior. Any bond that is created is assigned a bond type of *bondtype*. Loading Loading @@ -235,12 +234,14 @@ You can dump out snapshots of the current bond topology via the :doc:`dump local **Restart, fix_modify, output, run start/stop, minimize info:** No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix. No information about this fix is written to :doc:`binary restart files <restart>`. None of the :doc:`fix_modify <fix_modify>` options are relevant to this fix. This fix computes two statistics which it stores in a global vector of length 2, which can be accessed by various :doc:`output commands <Howto_output>`. The vector values calculated by this fix are "intensive". length 2, which can be accessed by various :doc:`output commands <Howto_output>`. The vector values calculated by this fix are "intensive". These are the 2 quantities: Loading
