(9fe494cc) · Commits · 郑智淋 / lammps

src/CLASS2/dihedral_class2.h

+2 −10

Original line number	Diff line number	Diff line
		@@ -60,7 +60,8 @@ class DihedralClass2 : public Dihedral {

		W: Dihedral problem: %d %ld %ld %ld %ld %ld

		UNDOCUMENTED
		Conformation of the 4 listed dihedral atoms is extreme; you may want
		to check your simulation geometry.

		E: Invalid coeffs for this dihedral style

		@@ -70,13 +71,4 @@ E: Incorrect args for dihedral coefficients

		Self-explanatory. Check the input script or data file.

		U: Dihedral problem: %d %ld

		UNDOCUMENTED

		U: Dihedral problem: %d %ld %d %d %d %d

		Conformation of the 4 listed dihedral atoms is extreme; you may want
		to check your simulation geometry.

		*/

+2 −10

Original line number	Diff line number	Diff line
		@@ -55,19 +55,11 @@ class ImproperClass2 : public Improper {

		W: Improper problem: %d %ld %ld %ld %ld %ld

		UNDOCUMENTED
		Conformation of the 4 listed improper atoms is extreme; you may want
		to check your simulation geometry.

		E: Incorrect args for improper coefficients

		Self-explanatory. Check the input script or data file.

		U: Improper problem: %d %ld

		UNDOCUMENTED

		U: Improper problem: %d %ld %d %d %d %d

		Conformation of the 4 listed improper atoms is extreme; you may want
		to check your simulation geometry.

		*/

+0 −5

Original line number	Diff line number	Diff line
		@@ -133,11 +133,6 @@ The kspace accuracy designated in the input must be greater than zero.

		E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems

		UNDOCUMENTED

		U: Cannot (yet) use K-space slab correction with compute group/group
		for triclinic systems

		This option is not yet supported.

		*/

+0 −10

Original line number	Diff line number	Diff line
		@@ -159,16 +159,6 @@ The pair style is not providing the needed epsilon or sigma values.

		E: Cannot (yet) use kspace slab correction with long-range dipoles and non-neutral systems or per-atom energy

		UNDOCUMENTED

		U: KSpace accuracy too large to estimate G vector

		Reduce the accuracy request or specify gwald explicitly
		via the kspace_modify command.

		U: Cannot (yet) use kspace slab correction with long-range dipoles
		and non-neutral systems or per-atom energy

		This feature is not yet supported.

		*/

+3 −7

Original line number	Diff line number	Diff line
		@@ -194,7 +194,9 @@ The kspace accuracy designated in the input must be greater than zero.

		W: Number of MSM mesh points changed to be a multiple of 2

		UNDOCUMENTED
		MSM requires that the number of grid points in each direction be a multiple
		of two and the number of grid points in one or more directions have been
		adjusted to meet this requirement.

		W: Adjusting Coulombic cutoff for MSM, new cutoff = %g

		@@ -231,10 +233,4 @@ 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.

		U: Number of MSM mesh points increased to be a multiple of 2

		MSM requires that the number of grid points in each direction be a multiple
		of two and the number of grid points in one or more directions have been
		adjusted to meet this requirement.

		*/