Loading src/GPU/fix_gpu.cpp +3 −2 Original line number Diff line number Diff line Loading @@ -174,9 +174,10 @@ void FixGPU::init() if (_particle_split < 0) if (force->pair_match("hybrid",1) != NULL || force->pair_match("hybrid/overlay",1) != NULL) error->all(FLERR,"GPU 'split' must be positive for hybrid pair styles"); error->all(FLERR,"GPU split param must be positive " "for hybrid pair styles"); // Make sure fdotr virial is not accumulated multiple times // make sure fdotr virial is not accumulated multiple times if (force->pair_match("hybrid",1) != NULL) { PairHybrid *hybrid = (PairHybrid *) force->pair; Loading src/GPU/fix_gpu.h +4 −16 Original line number Diff line number Diff line Loading @@ -77,31 +77,19 @@ OpenMP support. E: GPU package does not (yet) work with atom_style template UNDOCUMENTED Self-explanatory. E: Cannot use pair hybrid with GPU neighbor list builds UNDOCUMENTED Neighbor list builds must be done on the CPU for this pair style. E: GPU 'split' must be positive for hybrid pair styles E: GPU split param must be positive for hybrid pair styles UNDOCUMENTED See the package gpu command. E: Cannot use neigh_modify exclude with GPU neighbor builds This is a current limitation of the GPU implementation in LAMMPS. U: Cannot use pair hybrid with GPU neighbor builds See documentation for fix gpu. U: Fix GPU split must be positive for hybrid pair styles Self-explanatory. U: GPU styles must be on the outmost r-RESPA level Self-explanatory. */ src/GRANULAR/fix_pour.cpp +1 −1 Original line number Diff line number Diff line Loading @@ -100,7 +100,7 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) : zlo = ((RegCylinder *) domain->regions[iregion])->lo; zhi = ((RegCylinder *) domain->regions[iregion])->hi; if (axis != 'z') error->all(FLERR,"Must use a z-axis cylinder with fix pour"); error->all(FLERR,"Must use a z-axis cylinder region with fix pour"); if (xc-rc < domain->boxlo[0] || xc+rc > domain->boxhi[0] || yc-rc < domain->boxlo[1] || yc+rc > domain->boxhi[1] || zlo < domain->boxlo[2] || zhi > domain->boxhi[2]) Loading src/GRANULAR/fix_pour.h +43 −375 Original line number Diff line number Diff line Loading @@ -88,478 +88,146 @@ command-line option when running LAMMPS to see the offending line. E: Fix pour requires atom attributes radius, rmass UNDOCUMENTED The atom style defined does not have these attributes. E: Invalid atom type in fix pour command UNDOCUMENTED Self-explanatory. E: Must specify a region in fix pour UNDOCUMENTED Self-explanatory. E: Fix pour region does not support a bounding box UNDOCUMENTED Not all regions represent bounded volumes. You cannot use such a region with the fix pour command. E: Fix pour region cannot be dynamic UNDOCUMENTED Only static regions can be used with fix pour. E: Insertion region extends outside simulation box UNDOCUMENTED Self-explanatory. E: Must use a z-axis cylinder with fix pour E: Must use a z-axis cylinder region with fix pour UNDOCUMENTED Self-explanatory. E: Must use a block or cylinder region with fix pour UNDOCUMENTED Self-explanatory. E: Must use a block region with fix pour for 2d simulations UNDOCUMENTED Self-explanatory. E: Cannot use fix_pour unless atoms have IDs UNDOCUMENTED Self-explanatory. E: Fix pour molecule must have coordinates UNDOCUMENTED The defined molecule does not specify coordinates. E: Fix pour molecule must have atom types UNDOCUMENTED The defined molecule does not specify atom types. E: Invalid atom type in fix pour mol command UNDOCUMENTED The atom types in the defined molecule are added to the value specified in the create_atoms command, as an offset. The final value for each atom must be between 1 to N, where N is the number of atom types. E: Fix pour molecule template ID must be same as atom style template ID UNDOCUMENTED When using atom_style template, you cannot pour molecules that are not in that template. E: Cannot use fix pour rigid and not molecule UNDOCUMENTED Self-explanatory. E: Cannot use fix pour shake and not molecule UNDOCUMENTED Self-explanatory. E: Cannot use fix pour rigid and shake UNDOCUMENTED These two attributes are conflicting. E: No fix gravity defined for fix pour UNDOCUMENTED Gravity is required to use fix pour. E: Cannot use fix pour with triclinic box UNDOCUMENTED This option is not yet supported. E: Gravity must point in -z to use with fix pour in 3d UNDOCUMENTED Self-explanatory. E: Gravity must point in -y to use with fix pour in 2d UNDOCUMENTED Self-explanatory. E: Gravity changed since fix pour was created UNDOCUMENTED The gravity vector defined by fix gravity must be static. E: Fix pour rigid fix does not exist UNDOCUMENTED Self-explanatory. E: Fix pour and fix rigid/small not using same molecule template ID UNDOCUMENTED Self-explanatory. E: Fix pour shake fix does not exist UNDOCUMENTED Self-explanatory. E: Fix pour and fix shake not using same molecule template ID UNDOCUMENTED Self-explanatory. W: Less insertions than requested UNDOCUMENTED The fix pour command was unsuccessful at finding open space for as many particles as it tried to insert. E: Too many total atoms UNDOCUMENTED See the setting for bigint in the src/lmptype.h file. E: New atom IDs exceed maximum allowed ID UNDOCUMENTED See the setting for tagint in the src/lmptype.h file. E: Fix pour region ID does not exist UNDOCUMENTED Self-explanatory. E: Molecule template ID for fix pour does not exist UNDOCUMENTED Self-explanatory. W: Molecule template for fix pour has multiple molecules UNDOCUMENTED The fix pour command will only create molecules of a single type, i.e. the first molecule in the template. E: Fix pour polydisperse fractions do not sum to 1.0 UNDOCUMENTED E: Cannot change timestep with fix pour UNDOCUMENTED U: Cannot read_data after simulation box is defined The read_data command cannot be used after a read_data, read_restart, or create_box command. U: Cannot run 2d simulation with nonperiodic Z dimension Use the boundary command to make the z dimension periodic in order to run a 2d simulation. U: Fix ID for read_data does not exist Self-explanatory. U: Must read Atoms before Velocities The Atoms section of a data file must come before a Velocities section. U: Invalid data file section: Bonds Atom style does not allow bonds. U: Must read Atoms before Bonds The Atoms section of a data file must come before a Bonds section. U: Invalid data file section: Angles Atom style does not allow angles. U: Must read Atoms before Angles The Atoms section of a data file must come before an Angles section. U: Invalid data file section: Dihedrals Atom style does not allow dihedrals. U: Must read Atoms before Dihedrals The Atoms section of a data file must come before a Dihedrals section. U: Invalid data file section: Impropers Atom style does not allow impropers. U: Must read Atoms before Impropers The Atoms section of a data file must come before an Impropers section. U: Invalid data file section: Ellipsoids Atom style does not allow ellipsoids. U: Must read Atoms before Ellipsoids The Atoms section of a data file must come before a Ellipsoids section. U: Invalid data file section: Lines Atom style does not allow lines. U: Must read Atoms before Lines The Atoms section of a data file must come before a Lines section. U: Invalid data file section: Triangles Atom style does not allow triangles. U: Must read Atoms before Triangles The Atoms section of a data file must come before a Triangles section. U: Invalid data file section: Bodies Atom style does not allow bodies. U: Must read Atoms before Bodies The Atoms section of a data file must come before a Bodies section. U: Must define pair_style before Pair Coeffs Must use a pair_style command before reading a data file that defines Pair Coeffs. U: Must define pair_style before PairIJ Coeffs UNDOCUMENTED U: Invalid data file section: Bond Coeffs Atom style does not allow bonds. U: Must define bond_style before Bond Coeffs Must use a bond_style command before reading a data file that defines Bond Coeffs. U: Invalid data file section: Angle Coeffs Atom style does not allow angles. U: Must define angle_style before Angle Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: Dihedral Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before Dihedral Coeffs Must use a dihedral_style command before reading a data file that defines Dihedral Coeffs. U: Invalid data file section: Improper Coeffs Atom style does not allow impropers. U: Must define improper_style before Improper Coeffs Must use an improper_style command before reading a data file that defines Improper Coeffs. U: Invalid data file section: BondBond Coeffs Atom style does not allow angles. U: Must define angle_style before BondBond Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: BondAngle Coeffs Atom style does not allow angles. U: Must define angle_style before BondAngle Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: MiddleBondTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before MiddleBondTorsion Coeffs Must use a dihedral_style command before reading a data file that defines MiddleBondTorsion Coeffs. U: Invalid data file section: EndBondTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before EndBondTorsion Coeffs Must use a dihedral_style command before reading a data file that defines EndBondTorsion Coeffs. U: Invalid data file section: AngleTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before AngleTorsion Coeffs Must use a dihedral_style command before reading a data file that defines AngleTorsion Coeffs. U: Invalid data file section: AngleAngleTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before AngleAngleTorsion Coeffs Must use a dihedral_style command before reading a data file that defines AngleAngleTorsion Coeffs. U: Invalid data file section: BondBond13 Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before BondBond13 Coeffs Must use a dihedral_style command before reading a data file that defines BondBond13 Coeffs. U: Invalid data file section: AngleAngle Coeffs Atom style does not allow impropers. U: Must define improper_style before AngleAngle Coeffs Must use an improper_style command before reading a data file that defines AngleAngle Coeffs. U: Unknown identifier in data file: %s A section of the data file cannot be read by LAMMPS. U: No atoms in data file The header of the data file indicated that atoms would be included, but they were not present. U: Needed molecular topology not in data file UNDOCUMENTED U: Needed bonus data not in data file Some atom styles require bonus data. See the read_data doc page for details. U: Unexpected end of data file LAMMPS hit the end of the data file while attempting to read a section. Something is wrong with the format of the data file. U: No ellipsoids allowed with this atom style Self-explanatory. Check data file. U: No lines allowed with this atom style Self-explanatory. Check data file. U: No triangles allowed with this atom style Self-explanatory. Check data file. U: No bodies allowed with this atom style Self-explanatory. Check data file. U: System in data file is too big See the setting for bigint in the src/lmptype.h file. U: No bonds allowed with this atom style Self-explanatory. Check data file. U: No angles allowed with this atom style Self-explanatory. Check data file. U: No dihedrals allowed with this atom style Self-explanatory. Check data file. U: No impropers allowed with this atom style Self-explanatory. Check data file. U: Bonds defined but no bond types The data file header lists bonds but no bond types. U: Angles defined but no angle types The data file header lists angles but no angle types. U: Dihedrals defined but no dihedral types The data file header lists dihedrals but no dihedral types. U: Impropers defined but no improper types The data file header lists improper but no improper types. U: No molecule topology allowed with atom style template UNDOCUMENTED U: Did not assign all atoms correctly Atoms read in from a data file were not assigned correctly to processors. This is likely due to some atom coordinates being outside a non-periodic simulation box. U: Bonds assigned incorrectly Bonds read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Angles assigned incorrectly Angles read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Dihedrals assigned incorrectly Dihedrals read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Impropers assigned incorrectly Impropers read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Too many lines in one body in data file - boost MAXBODY MAXBODY is a setting at the top of the src/read_data.cpp file. Set it larger and re-compile the code. U: Cannot open gzipped file LAMMPS was compiled without support for reading and writing gzipped files through a pipeline to the gzip program with -DLAMMPS_GZIP. U: Cannot open file %s The specified file cannot be opened. Check that the path and name are correct. If the file is a compressed file, also check that the gzip executable can be found and run. U: Invalid atom ID in Atoms section of data file Atom IDs must be positive integers. U: Molecular data file has too many atoms These kids of data files are currently limited to a number of atoms that fits in a 32-bit integer. U: Needed topology not in data file E: Cannot change timestep with fix pour The header of the data file indicated that bonds or angles or dihedrals or impropers would be included, but they were not present. This is because fix pour pre-computes the time delay for particles to fall out of the insertion volume due to gravity. */ src/MANYBODY/fix_qeq_comb.h +1 −1 Original line number Diff line number Diff line Loading @@ -77,7 +77,7 @@ An atom style with charge must be used to perform charge equilibration. E: Must use pair_style comb or comb3 with fix qeq/comb UNDOCUMENTED Self-explanatory. E: Fix qeq/comb group has no atoms Loading Loading
src/GPU/fix_gpu.cpp +3 −2 Original line number Diff line number Diff line Loading @@ -174,9 +174,10 @@ void FixGPU::init() if (_particle_split < 0) if (force->pair_match("hybrid",1) != NULL || force->pair_match("hybrid/overlay",1) != NULL) error->all(FLERR,"GPU 'split' must be positive for hybrid pair styles"); error->all(FLERR,"GPU split param must be positive " "for hybrid pair styles"); // Make sure fdotr virial is not accumulated multiple times // make sure fdotr virial is not accumulated multiple times if (force->pair_match("hybrid",1) != NULL) { PairHybrid *hybrid = (PairHybrid *) force->pair; Loading
src/GPU/fix_gpu.h +4 −16 Original line number Diff line number Diff line Loading @@ -77,31 +77,19 @@ OpenMP support. E: GPU package does not (yet) work with atom_style template UNDOCUMENTED Self-explanatory. E: Cannot use pair hybrid with GPU neighbor list builds UNDOCUMENTED Neighbor list builds must be done on the CPU for this pair style. E: GPU 'split' must be positive for hybrid pair styles E: GPU split param must be positive for hybrid pair styles UNDOCUMENTED See the package gpu command. E: Cannot use neigh_modify exclude with GPU neighbor builds This is a current limitation of the GPU implementation in LAMMPS. U: Cannot use pair hybrid with GPU neighbor builds See documentation for fix gpu. U: Fix GPU split must be positive for hybrid pair styles Self-explanatory. U: GPU styles must be on the outmost r-RESPA level Self-explanatory. */
src/GRANULAR/fix_pour.cpp +1 −1 Original line number Diff line number Diff line Loading @@ -100,7 +100,7 @@ FixPour::FixPour(LAMMPS *lmp, int narg, char **arg) : zlo = ((RegCylinder *) domain->regions[iregion])->lo; zhi = ((RegCylinder *) domain->regions[iregion])->hi; if (axis != 'z') error->all(FLERR,"Must use a z-axis cylinder with fix pour"); error->all(FLERR,"Must use a z-axis cylinder region with fix pour"); if (xc-rc < domain->boxlo[0] || xc+rc > domain->boxhi[0] || yc-rc < domain->boxlo[1] || yc+rc > domain->boxhi[1] || zlo < domain->boxlo[2] || zhi > domain->boxhi[2]) Loading
src/GRANULAR/fix_pour.h +43 −375 Original line number Diff line number Diff line Loading @@ -88,478 +88,146 @@ command-line option when running LAMMPS to see the offending line. E: Fix pour requires atom attributes radius, rmass UNDOCUMENTED The atom style defined does not have these attributes. E: Invalid atom type in fix pour command UNDOCUMENTED Self-explanatory. E: Must specify a region in fix pour UNDOCUMENTED Self-explanatory. E: Fix pour region does not support a bounding box UNDOCUMENTED Not all regions represent bounded volumes. You cannot use such a region with the fix pour command. E: Fix pour region cannot be dynamic UNDOCUMENTED Only static regions can be used with fix pour. E: Insertion region extends outside simulation box UNDOCUMENTED Self-explanatory. E: Must use a z-axis cylinder with fix pour E: Must use a z-axis cylinder region with fix pour UNDOCUMENTED Self-explanatory. E: Must use a block or cylinder region with fix pour UNDOCUMENTED Self-explanatory. E: Must use a block region with fix pour for 2d simulations UNDOCUMENTED Self-explanatory. E: Cannot use fix_pour unless atoms have IDs UNDOCUMENTED Self-explanatory. E: Fix pour molecule must have coordinates UNDOCUMENTED The defined molecule does not specify coordinates. E: Fix pour molecule must have atom types UNDOCUMENTED The defined molecule does not specify atom types. E: Invalid atom type in fix pour mol command UNDOCUMENTED The atom types in the defined molecule are added to the value specified in the create_atoms command, as an offset. The final value for each atom must be between 1 to N, where N is the number of atom types. E: Fix pour molecule template ID must be same as atom style template ID UNDOCUMENTED When using atom_style template, you cannot pour molecules that are not in that template. E: Cannot use fix pour rigid and not molecule UNDOCUMENTED Self-explanatory. E: Cannot use fix pour shake and not molecule UNDOCUMENTED Self-explanatory. E: Cannot use fix pour rigid and shake UNDOCUMENTED These two attributes are conflicting. E: No fix gravity defined for fix pour UNDOCUMENTED Gravity is required to use fix pour. E: Cannot use fix pour with triclinic box UNDOCUMENTED This option is not yet supported. E: Gravity must point in -z to use with fix pour in 3d UNDOCUMENTED Self-explanatory. E: Gravity must point in -y to use with fix pour in 2d UNDOCUMENTED Self-explanatory. E: Gravity changed since fix pour was created UNDOCUMENTED The gravity vector defined by fix gravity must be static. E: Fix pour rigid fix does not exist UNDOCUMENTED Self-explanatory. E: Fix pour and fix rigid/small not using same molecule template ID UNDOCUMENTED Self-explanatory. E: Fix pour shake fix does not exist UNDOCUMENTED Self-explanatory. E: Fix pour and fix shake not using same molecule template ID UNDOCUMENTED Self-explanatory. W: Less insertions than requested UNDOCUMENTED The fix pour command was unsuccessful at finding open space for as many particles as it tried to insert. E: Too many total atoms UNDOCUMENTED See the setting for bigint in the src/lmptype.h file. E: New atom IDs exceed maximum allowed ID UNDOCUMENTED See the setting for tagint in the src/lmptype.h file. E: Fix pour region ID does not exist UNDOCUMENTED Self-explanatory. E: Molecule template ID for fix pour does not exist UNDOCUMENTED Self-explanatory. W: Molecule template for fix pour has multiple molecules UNDOCUMENTED The fix pour command will only create molecules of a single type, i.e. the first molecule in the template. E: Fix pour polydisperse fractions do not sum to 1.0 UNDOCUMENTED E: Cannot change timestep with fix pour UNDOCUMENTED U: Cannot read_data after simulation box is defined The read_data command cannot be used after a read_data, read_restart, or create_box command. U: Cannot run 2d simulation with nonperiodic Z dimension Use the boundary command to make the z dimension periodic in order to run a 2d simulation. U: Fix ID for read_data does not exist Self-explanatory. U: Must read Atoms before Velocities The Atoms section of a data file must come before a Velocities section. U: Invalid data file section: Bonds Atom style does not allow bonds. U: Must read Atoms before Bonds The Atoms section of a data file must come before a Bonds section. U: Invalid data file section: Angles Atom style does not allow angles. U: Must read Atoms before Angles The Atoms section of a data file must come before an Angles section. U: Invalid data file section: Dihedrals Atom style does not allow dihedrals. U: Must read Atoms before Dihedrals The Atoms section of a data file must come before a Dihedrals section. U: Invalid data file section: Impropers Atom style does not allow impropers. U: Must read Atoms before Impropers The Atoms section of a data file must come before an Impropers section. U: Invalid data file section: Ellipsoids Atom style does not allow ellipsoids. U: Must read Atoms before Ellipsoids The Atoms section of a data file must come before a Ellipsoids section. U: Invalid data file section: Lines Atom style does not allow lines. U: Must read Atoms before Lines The Atoms section of a data file must come before a Lines section. U: Invalid data file section: Triangles Atom style does not allow triangles. U: Must read Atoms before Triangles The Atoms section of a data file must come before a Triangles section. U: Invalid data file section: Bodies Atom style does not allow bodies. U: Must read Atoms before Bodies The Atoms section of a data file must come before a Bodies section. U: Must define pair_style before Pair Coeffs Must use a pair_style command before reading a data file that defines Pair Coeffs. U: Must define pair_style before PairIJ Coeffs UNDOCUMENTED U: Invalid data file section: Bond Coeffs Atom style does not allow bonds. U: Must define bond_style before Bond Coeffs Must use a bond_style command before reading a data file that defines Bond Coeffs. U: Invalid data file section: Angle Coeffs Atom style does not allow angles. U: Must define angle_style before Angle Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: Dihedral Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before Dihedral Coeffs Must use a dihedral_style command before reading a data file that defines Dihedral Coeffs. U: Invalid data file section: Improper Coeffs Atom style does not allow impropers. U: Must define improper_style before Improper Coeffs Must use an improper_style command before reading a data file that defines Improper Coeffs. U: Invalid data file section: BondBond Coeffs Atom style does not allow angles. U: Must define angle_style before BondBond Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: BondAngle Coeffs Atom style does not allow angles. U: Must define angle_style before BondAngle Coeffs Must use an angle_style command before reading a data file that defines Angle Coeffs. U: Invalid data file section: MiddleBondTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before MiddleBondTorsion Coeffs Must use a dihedral_style command before reading a data file that defines MiddleBondTorsion Coeffs. U: Invalid data file section: EndBondTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before EndBondTorsion Coeffs Must use a dihedral_style command before reading a data file that defines EndBondTorsion Coeffs. U: Invalid data file section: AngleTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before AngleTorsion Coeffs Must use a dihedral_style command before reading a data file that defines AngleTorsion Coeffs. U: Invalid data file section: AngleAngleTorsion Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before AngleAngleTorsion Coeffs Must use a dihedral_style command before reading a data file that defines AngleAngleTorsion Coeffs. U: Invalid data file section: BondBond13 Coeffs Atom style does not allow dihedrals. U: Must define dihedral_style before BondBond13 Coeffs Must use a dihedral_style command before reading a data file that defines BondBond13 Coeffs. U: Invalid data file section: AngleAngle Coeffs Atom style does not allow impropers. U: Must define improper_style before AngleAngle Coeffs Must use an improper_style command before reading a data file that defines AngleAngle Coeffs. U: Unknown identifier in data file: %s A section of the data file cannot be read by LAMMPS. U: No atoms in data file The header of the data file indicated that atoms would be included, but they were not present. U: Needed molecular topology not in data file UNDOCUMENTED U: Needed bonus data not in data file Some atom styles require bonus data. See the read_data doc page for details. U: Unexpected end of data file LAMMPS hit the end of the data file while attempting to read a section. Something is wrong with the format of the data file. U: No ellipsoids allowed with this atom style Self-explanatory. Check data file. U: No lines allowed with this atom style Self-explanatory. Check data file. U: No triangles allowed with this atom style Self-explanatory. Check data file. U: No bodies allowed with this atom style Self-explanatory. Check data file. U: System in data file is too big See the setting for bigint in the src/lmptype.h file. U: No bonds allowed with this atom style Self-explanatory. Check data file. U: No angles allowed with this atom style Self-explanatory. Check data file. U: No dihedrals allowed with this atom style Self-explanatory. Check data file. U: No impropers allowed with this atom style Self-explanatory. Check data file. U: Bonds defined but no bond types The data file header lists bonds but no bond types. U: Angles defined but no angle types The data file header lists angles but no angle types. U: Dihedrals defined but no dihedral types The data file header lists dihedrals but no dihedral types. U: Impropers defined but no improper types The data file header lists improper but no improper types. U: No molecule topology allowed with atom style template UNDOCUMENTED U: Did not assign all atoms correctly Atoms read in from a data file were not assigned correctly to processors. This is likely due to some atom coordinates being outside a non-periodic simulation box. U: Bonds assigned incorrectly Bonds read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Angles assigned incorrectly Angles read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Dihedrals assigned incorrectly Dihedrals read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Impropers assigned incorrectly Impropers read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions. U: Too many lines in one body in data file - boost MAXBODY MAXBODY is a setting at the top of the src/read_data.cpp file. Set it larger and re-compile the code. U: Cannot open gzipped file LAMMPS was compiled without support for reading and writing gzipped files through a pipeline to the gzip program with -DLAMMPS_GZIP. U: Cannot open file %s The specified file cannot be opened. Check that the path and name are correct. If the file is a compressed file, also check that the gzip executable can be found and run. U: Invalid atom ID in Atoms section of data file Atom IDs must be positive integers. U: Molecular data file has too many atoms These kids of data files are currently limited to a number of atoms that fits in a 32-bit integer. U: Needed topology not in data file E: Cannot change timestep with fix pour The header of the data file indicated that bonds or angles or dihedrals or impropers would be included, but they were not present. This is because fix pour pre-computes the time delay for particles to fall out of the insertion volume due to gravity. */
src/MANYBODY/fix_qeq_comb.h +1 −1 Original line number Diff line number Diff line Loading @@ -77,7 +77,7 @@ An atom style with charge must be used to perform charge equilibration. E: Must use pair_style comb or comb3 with fix qeq/comb UNDOCUMENTED Self-explanatory. E: Fix qeq/comb group has no atoms Loading
