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new keywords for read_data: extra/X/per/atoms + changes to docs

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This commit is contained in:
Andrew Jewett
2017-06-28 17:55:30 -07:00
parent fa30635465
commit 38075455b6
3 changed files with 70 additions and 22 deletions
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45
doc/src/Section_errors.txt
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@ -4696,9 +4696,9 @@ Self-explanatory. :dd
{Fix bond/create induced too many angles/dihedrals/impropers per atom} :dt
See the read_data command for info on setting the "extra angle per
atom", etc header values to allow for additional angles, etc to be
formed. :dd
See the read_data command for info on using the "extra/angle/per/atom",
(or dihedral, improper) keywords to allow for additional
angles, dihedrals, and impropers to be formed. :dd
{Fix bond/create needs ghost atoms from further away} :dt
@ -7876,18 +7876,20 @@ See the setting for tagint in the src/lmptype.h file. :dd
{New bond exceeded bonds per atom in create_bonds} :dt
See the read_data command for info on setting the "extra bond per
atom" header value to allow for additional bonds to be formed. :dd
See the read_data command for info on using the "extra/bond/per/atom"
keyword to allow for additional bonds to be formed
{New bond exceeded bonds per atom in fix bond/create} :dt
See the read_data command for info on setting the "extra bond per
atom" header value to allow for additional bonds to be formed. :dd
See the read_data command for info on using the "extra/bond/per/atom"
keyword to allow for additional bonds to be formed :dd
{New bond exceeded special list size in fix bond/create} :dt
See the special_bonds extra command for info on how to leave space in
the special bonds list to allow for additional bonds to be formed. :dd
See the "special_bonds extra" command
(or the "read_data extra/special/per/atom" command)
for info on how to leave space in the special bonds
list to allow for additional bonds to be formed. :dd
{Newton bond change after simulation box is defined} :dt
@ -9664,9 +9666,10 @@ you are running. :dd
{Special list size exceeded in fix bond/create} :dt
See the read_data command for info on setting the "extra special per
atom" header value to allow for additional special values to be
stored. :dd
See the special_bonds extra command
(or the read_data extra/special/per/atom command)
for info on how to leave space in the special bonds
list to allow for additional bonds to be formed. :dd
{Specified processors != physical processors} :dt
@ -9683,23 +9686,25 @@ Self-explanatory. :dd
{Subsequent read data induced too many angles per atom} :dt
See the create_box extra/angle/per/atom or read_data "extra angle per
atom" header value to set this limit larger. :dd
See the read_data or create_box commands for info on using the
"extra/angle/per/atom" keyword to allow for additional angles to be formed :dd
{Subsequent read data induced too many bonds per atom} :dt
See the create_box extra/bond/per/atom or read_data "extra bond per
atom" header value to set this limit larger. :dd
See the read_data or create_box commands for info on using the
"extra/bond/per/atom" keyword to allow for additional bonds to be formed :dd
{Subsequent read data induced too many dihedrals per atom} :dt
See the create_box extra/dihedral/per/atom or read_data "extra
dihedral per atom" header value to set this limit larger. :dd
See the read_data or create_box commands for info on using the
"extra/dihedral/per/atom" keyword to allow for additional
dihedrals to be formed :dd
{Subsequent read data induced too many impropers per atom} :dt
See the create_box extra/improper/per/atom or read_data "extra
improper per atom" header value to set this limit larger. :dd
See the read_data or create_box commands for info on using the
"extra/improper/per/atom" keyword to allow for additional
impropers to be formed :dd
{Substitution for illegal variable} :dt