Update Errors_messages.txt

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jrgissing
2019-05-30 23:29:43 -06:00
parent 80d906d445
commit 16a254f6bd

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@ -610,6 +610,62 @@ This means there is something invalid about the topology definitions. :dd
The data file header lists bonds but no bond types. :dd
{Bond/react: Cannot use fix bond/react with non-molecular systems} :dt
Only systems with bonds that can be changed can be used. Atom_style
template does not qualify. :dd
{Bond/react: Rmax cutoff is longer than pairwise cutoff} :dt
This is not allowed because bond creation is done using the pairwise
neighbor list. :dd
{Bond/react: Molecule template ID for fix bond/react does not exist} :dt
A valid molecule template must have been created with the molecule
command. :dd
{Bond/react: Reaction templates must contain the same number of atoms} :dt
There should be a one-to-one correspondence between atoms in the
pre-reacted and post-reacted templates, as specified by the map file. :dd
{Bond/react: Unknown section in map file} :dt
Please ensure reaction map files are properly formatted. :dd
{Bond/react: Atom affected by reaction too close to template edge} :dt
This means an atom which changes type during the reaction is too close
to an 'edge' atom defined in the superimpose file. This could cause
incorrect assignment of bonds, angle, etc. Generally, this means you
must include more atoms in your templates, such that there are at
least two atoms between each atom involved in the reaction and an edge
atom. :dd
{Bond/react: Fix bond/react needs ghost atoms from farther away} :dt
This is because a processor needs to superimpose the entire unreacted
molecule template onto simulation atoms it knows about. The
comm_modify cutoff command can be used to extend the communication
range. :dd
{Bond/react: A deleted atom cannot remain bonded to an atom that is not deleted} :dt
Self-explanatory. :dd
{Bond/react special bond generation overflow} :dt
The number of special bonds per-atom created by a reaction exceeds the
system setting. See the read_data or create_box command for how to
specify this value. :dd
{Bond/react topology/atom exceed system topology/atom} :dt
The number of bonds, angles etc per-atom created by a reaction exceeds
the system setting. See the read_data or create_box command for how to
specify this value. :dd
{Both restart files must use % or neither} :dt
Self-explanatory. :dd