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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-23 23:30:50 +00:00
parent 94d653c282
commit 84a5ec39ec
168 changed files with 1313 additions and 1218 deletions
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54
src/create_bonds.h
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@ -44,15 +44,16 @@ class CreateBonds : protected Pointers {
E: Create_bonds command before simulation box is defined
UNDOCUMENTED
Self-explanatory.
E: Cannot use create_bonds unless atoms have IDs
UNDOCUMENTED
This command requires a mapping from global atom IDs to local atoms,
but the atoms that have been defined have no IDs.
E: Cannot use create_bonds with non-molecular system
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command
@ -62,61 +63,38 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot find create_bonds group ID
UNDOCUMENTED
Self-explanatory.
E: Invalid bond type in create_bonds command
UNDOCUMENTED
Self-explanatory.
E: Create_bonds requires a pair style be defined
UNDOCUMENTED
Self-explanatory.
E: Create_bonds max distance > neighbor cutoff
UNDOCUMENTED
Can only create bonds for atom pairs that will be in neighbor list.
W: Create_bonds max distance > minimum neighbor cutoff
UNDOCUMENTED
This means atom pairs for some atom types may not be in the neighbor
list and thus no bond can be created between them.
E: Create_bonds command requires special_bonds 1-2 weights be 0.0
UNDOCUMENTED
This is so that atom pairs that are already bonded to not appear in
the neighbor list.
E: Create_bonds command requires no kspace_style be defined
UNDOCUMENTED
This is so that atom pairs that are already bonded to not appear
in the neighbor list.
E: New bond exceeded bonds per atom in create_bonds
UNDOCUMENTED
U: Delete_atoms command before simulation box is defined
The delete_atoms command cannot be used before a read_data,
read_restart, or create_box command.
U: Cannot use delete_atoms unless atoms have IDs
Your atoms do not have IDs, so the delete_atoms command cannot be
used.
U: Could not find delete_atoms group ID
Group ID used in the delete_atoms command does not exist.
U: Could not find delete_atoms region ID
Region ID used in the delete_atoms command does not exist.
U: Delete_atoms requires a pair style be defined
This is because atom deletion within a cutoff uses a pairwise
neighbor list.
U: Delete_atoms cutoff > neighbor cutoff
Cannot delete atoms further away than a processor knows about.
See the read_data command for info on setting the "extra bond per
atom" header value to allow for additional bonds to be formed.
*/