git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8439 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-06-29 21:10:14 +00:00
parent 06d12cd6ec
commit 5dbe265bbc
11 changed files with 107 additions and 18 deletions

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@ -71,6 +71,10 @@ Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.

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@ -72,6 +72,10 @@ Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.

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@ -87,6 +87,10 @@ Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1.
Self-explanatory.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.

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@ -56,6 +56,10 @@ Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
W: Cannot include log terms without 1/r terms; setting flagHI to 1
Self-explanatory.
E: Pair lubricateU/poly requires newton pair off
Self-explanatory.

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@ -476,8 +476,8 @@ void PairLubricatePoly::init_style()
// check for fix deform, if exists it must use "remap v"
// If box will change volume, set appropriate flag so that volume
// and v.f. corrections are re-calculated at every step.
//
// If available volume is different from box volume
// if available volume is different from box volume
// due to walls, set volume appropriately; if walls will
// move, set appropriate flag so that volume and v.f. corrections
// are re-calculated at every step.

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@ -55,6 +55,10 @@ E: Pair lubricate/poly requires extended particles
One of the particles has radius 0.0.
E: Using pair lubricate with inconsistent fix deform remap option
Must use remap v option with fix deform with this pair style.
E: Using pair lubricate/poly with inconsistent fix deform remap option
If fix deform is used, the remap v option is required.

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@ -119,4 +119,12 @@ W: System is not charge neutral, net charge = %g
The total charge on all atoms on the system is not 0.0, which
is not valid for Ewald or PPPM.
E: KSpace accuracy too large to estimate G vector
UNDOCUMENTED
E: Cannot (yet) use Kspace slab correction with compute group/group
UNDOCUMENTED
*/

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@ -57,6 +57,16 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong {
/* ERROR/WARNING messages:
E: TIP4P hydrogen is missing
The TIP4P pairwise computation failed to find the correct H atom
within a water molecule.
E: TIP4P hydrogen has incorrect atom type
The TIP4P pairwise computation found an H atom whose type does not
agree with the specified H type.
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
@ -92,14 +102,9 @@ E: Must use an angle style with TIP4P potential
TIP4P potentials assume angles in water are constrained by a fix shake
command.
E: TIP4P hydrogen is missing
E: Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p
The TIP4P pairwise computation failed to find the correct H atom
within a water molecule.
E: TIP4P hydrogen has incorrect atom type
The TIP4P pairwise computation found an H atom whose type does not
agree with the specified H type.
This is because LAMMPS does not compute the Lennard-Jones interactions
with these particles for efficiency reasons.
*/

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@ -196,9 +196,9 @@ E: Incorrect boundaries with slab PPPM
Must have periodic x,y dimensions and non-periodic z dimension to use
2d slab option with PPPM.
E: PPPM order cannot be greater than %d
E: PPPM order cannot be < 2 or > than %d
Self-explanatory.
This is a limitation of the PPPM implementation in LAMMPS.
E: KSpace style is incompatible with Pair style
@ -245,6 +245,10 @@ to run, but can reduce the order no further. Try increasing the
accuracy of PPPM by reducing the tolerance size, thus inducing a
larger PPPM grid.
E: KSpace accuracy too large to estimate G vector
UNDOCUMENTED
E: Cannot compute PPPM G
LAMMPS failed to compute a valid approximation for the PPPM g_ewald
@ -266,4 +270,8 @@ outside a processor's sub-domain or even the entire simulation box.
This indicates bad physics, e.g. due to highly overlapping atoms, too
large a timestep, etc.
E: Cannot (yet) use K-space slab correction with compute group/group
This option is not yet supported.
*/

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@ -220,16 +220,59 @@ class PairBOP : public Pair {
#endif
#endif
/* ERROR/WARNING messages:
E: BOP: Too many Atom Pairs
The number of atomic pairs exceeds the expected number. Check
your atomic structure to ensure that it is realistic.
E: BOP: Too many Atom Triplets
The number of three atom groups for angle determinations
exceeds the expected number. Check your atomic structrure
to ensure that it is realistic.
*/
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair style BOP requires atom IDs
This is a requirement to use the BOP potential.
E: Pair style BOP requires newton pair on
See the newton command. This is a restriction to use the BOP
potential.
E: Pair style bop requires comm ghost cutoff at least 3x larger than %g
Use the communicate ghost command to set this. See the pair bop
doc page for more details.
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
E: Too many atom pairs for pair bop
The number of atomic pairs exceeds the expected number. Check your
atomic structure to ensure that it is realistic.
E: Too many atom triplets for pair bop
The number of three atom groups for angle determinations exceeds the
expected number. Check your atomic structrure to ensure that it is
realistic.
E: Cannot open BOP potential file %s
The specified BOP potential file cannot be opened. Check that the
path and name are correct.
*/

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@ -51,4 +51,9 @@ E: TIP4P hydrogen is missing
The TIP4P pairwise computation failed to find the correct H atom
within a water molecule.
E: TIP4P hydrogen has incorrect atom type
The atom LAMMPS assumes is a hydrogen bonded to a water oxygen,
is not the hydrogen type specified in the command.
*/