Loading doc/src/2001/input_commands.html +2 −2 Original line number Diff line number Diff line Loading @@ -464,7 +464,7 @@ the angletype option can only be assigned to a "fix style" of "shake", entirely rigid (e.g. water) the angletype option enables an additional check when SHAKE constraints are computed: if a cluster is of size 3 and both bonds in the cluster are of a bondtype specified by the 2nd paramter of the cluster are of a bondtype specified by the 2nd parameter of angletype, then the cluster is SHAKEn with an additional angle constraint that makes it rigid, using the equilibrium angle appropriate to the specified angletype Loading Loading @@ -1566,7 +1566,7 @@ mesh dimensions that are power-of-two are fastest for FFTs, but any sizes can be used that are supported by native machine libraries this command is optional - if not used, a default mesh size will be chosen to satisfy accuracy criterion - if used, the specifed mesh size will override the default specified mesh size will override the default </PRE> <HR> <H3> Loading doc/src/99/basics.html +1 −1 Original line number Diff line number Diff line Loading @@ -201,7 +201,7 @@ The tools directory also has a F77 program called setup_chain.f (compile and link with print.c) which can be used to generate random initial polymer configurations for bead-spring models like those used in examples/polymer. It uses an input polymer definition file (see examples/polymer for two sample def files) that specfies how many examples/polymer for two sample def files) that specifies how many chains of what length, a random number seed, etc.</P> </BODY> </HTML> doc/src/99/crib.html +1 −1 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ Note: this file is somewhat out-of-date for LAMMPS 99.</P> <LI> maxtype = max # of atom types <LI> maxbond = max # of bonds to compute on one procesor maxbond = max # of bonds to compute on one processor <LI> maxangle = max # of angles to compute on one processor <LI> Loading doc/src/99/input_commands.html +1 −1 Original line number Diff line number Diff line Loading @@ -1124,7 +1124,7 @@ mesh dimensions that are power-of-two are fastest for FFTs, but any size can be used that are supported by native machine libraries this command is optional - if not used, a default mesh size will be chosen to satisfy accuracy criterion - if used, the specifed mesh size will override the default specified mesh size will override the default Default = none </PRE> Loading doc/src/Section_errors.txt +4 −4 Original line number Diff line number Diff line Loading @@ -7552,7 +7552,7 @@ Self-explanatory. :dd Self-explanatory. :dd {Molecule toplogy/atom exceeds system topology/atom} :dt {Molecule topology/atom exceeds system topology/atom} :dt The number of bonds, angles, etc per-atom in the molecule exceeds the system setting. See the create_box command for how to specify these Loading Loading @@ -10707,7 +10707,7 @@ Self-explanatory. :dd {Variable has circular dependency} :dt A circular dependency is when variable "a" in used by variable "b" and variable "b" is also used by varaible "a". Circular dependencies with variable "b" is also used by variable "a". Circular dependencies with longer chains of dependence are also not allowed. :dd {Variable name between brackets must be alphanumeric or underscore characters} :dt Loading Loading @@ -11452,7 +11452,7 @@ i.e. the first molecule in the template. :dd {Molecule template for fix shake has multiple molecules} :dt The fix shake command will only recoginze molecules of a single The fix shake command will only recognize molecules of a single type, i.e. the first molecule in the template. :dd {More than one compute centro/atom} :dt Loading Loading @@ -11589,7 +11589,7 @@ This may not be what you intended. :dd {One or more dynamic groups may not be updated at correct point in timestep} :dt If there are other fixes that act immediately after the intitial stage If there are other fixes that act immediately after the initial stage of time integration within a timestep (i.e. after atoms move), then the command that sets up the dynamic group should appear after those fixes. This will insure that dynamic group assignments are made Loading Loading
doc/src/2001/input_commands.html +2 −2 Original line number Diff line number Diff line Loading @@ -464,7 +464,7 @@ the angletype option can only be assigned to a "fix style" of "shake", entirely rigid (e.g. water) the angletype option enables an additional check when SHAKE constraints are computed: if a cluster is of size 3 and both bonds in the cluster are of a bondtype specified by the 2nd paramter of the cluster are of a bondtype specified by the 2nd parameter of angletype, then the cluster is SHAKEn with an additional angle constraint that makes it rigid, using the equilibrium angle appropriate to the specified angletype Loading Loading @@ -1566,7 +1566,7 @@ mesh dimensions that are power-of-two are fastest for FFTs, but any sizes can be used that are supported by native machine libraries this command is optional - if not used, a default mesh size will be chosen to satisfy accuracy criterion - if used, the specifed mesh size will override the default specified mesh size will override the default </PRE> <HR> <H3> Loading
doc/src/99/basics.html +1 −1 Original line number Diff line number Diff line Loading @@ -201,7 +201,7 @@ The tools directory also has a F77 program called setup_chain.f (compile and link with print.c) which can be used to generate random initial polymer configurations for bead-spring models like those used in examples/polymer. It uses an input polymer definition file (see examples/polymer for two sample def files) that specfies how many examples/polymer for two sample def files) that specifies how many chains of what length, a random number seed, etc.</P> </BODY> </HTML>
doc/src/99/crib.html +1 −1 Original line number Diff line number Diff line Loading @@ -40,7 +40,7 @@ Note: this file is somewhat out-of-date for LAMMPS 99.</P> <LI> maxtype = max # of atom types <LI> maxbond = max # of bonds to compute on one procesor maxbond = max # of bonds to compute on one processor <LI> maxangle = max # of angles to compute on one processor <LI> Loading
doc/src/99/input_commands.html +1 −1 Original line number Diff line number Diff line Loading @@ -1124,7 +1124,7 @@ mesh dimensions that are power-of-two are fastest for FFTs, but any size can be used that are supported by native machine libraries this command is optional - if not used, a default mesh size will be chosen to satisfy accuracy criterion - if used, the specifed mesh size will override the default specified mesh size will override the default Default = none </PRE> Loading
doc/src/Section_errors.txt +4 −4 Original line number Diff line number Diff line Loading @@ -7552,7 +7552,7 @@ Self-explanatory. :dd Self-explanatory. :dd {Molecule toplogy/atom exceeds system topology/atom} :dt {Molecule topology/atom exceeds system topology/atom} :dt The number of bonds, angles, etc per-atom in the molecule exceeds the system setting. See the create_box command for how to specify these Loading Loading @@ -10707,7 +10707,7 @@ Self-explanatory. :dd {Variable has circular dependency} :dt A circular dependency is when variable "a" in used by variable "b" and variable "b" is also used by varaible "a". Circular dependencies with variable "b" is also used by variable "a". Circular dependencies with longer chains of dependence are also not allowed. :dd {Variable name between brackets must be alphanumeric or underscore characters} :dt Loading Loading @@ -11452,7 +11452,7 @@ i.e. the first molecule in the template. :dd {Molecule template for fix shake has multiple molecules} :dt The fix shake command will only recoginze molecules of a single The fix shake command will only recognize molecules of a single type, i.e. the first molecule in the template. :dd {More than one compute centro/atom} :dt Loading Loading @@ -11589,7 +11589,7 @@ This may not be what you intended. :dd {One or more dynamic groups may not be updated at correct point in timestep} :dt If there are other fixes that act immediately after the intitial stage If there are other fixes that act immediately after the initial stage of time integration within a timestep (i.e. after atoms move), then the command that sets up the dynamic group should appear after those fixes. This will insure that dynamic group assignments are made Loading
