diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h index 0151ff9961..4688a5612d 100755 --- a/src/ASPHERE/compute_temp_asphere.h +++ b/src/ASPHERE/compute_temp_asphere.h @@ -86,6 +86,7 @@ compute. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/ASPHERE/pair_line_lj.h b/src/ASPHERE/pair_line_lj.h index 4867422baf..8722352e59 100644 --- a/src/ASPHERE/pair_line_lj.h +++ b/src/ASPHERE/pair_line_lj.h @@ -81,6 +81,7 @@ Self-explanatory. E: All pair coeffs are not set -UNDOCUMENTED +All pair coefficients must be set in the data file or by the +pair_coeff command before running a simulation. */ diff --git a/src/BODY/body_nparticle.h b/src/BODY/body_nparticle.h index c81aa288d9..df968aac09 100644 --- a/src/BODY/body_nparticle.h +++ b/src/BODY/body_nparticle.h @@ -75,9 +75,4 @@ E: Insufficient Jacobi rotations for body nparticle Eigensolve for rigid body was not sufficiently accurate. -U: Invalid format in Bodies section of data file - -The specified number of integer or floating point values does not -appear. - */ diff --git a/src/COMPRESS/dump_atom_gz.h b/src/COMPRESS/dump_atom_gz.h index 57897b0c8c..bd0ed792f8 100644 --- a/src/COMPRESS/dump_atom_gz.h +++ b/src/COMPRESS/dump_atom_gz.h @@ -52,6 +52,6 @@ The dump atom/gz output file name must have a .gz suffix. E: Cannot open dump file -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/COMPRESS/dump_cfg_gz.h b/src/COMPRESS/dump_cfg_gz.h index 7da426e6c8..aefde431cf 100644 --- a/src/COMPRESS/dump_cfg_gz.h +++ b/src/COMPRESS/dump_cfg_gz.h @@ -52,6 +52,6 @@ The dump cfg/gz output file name must have a .gz suffix. E: Cannot open dump file -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/COMPRESS/dump_custom_gz.h b/src/COMPRESS/dump_custom_gz.h index fab5826d46..3a75673ab5 100644 --- a/src/COMPRESS/dump_custom_gz.h +++ b/src/COMPRESS/dump_custom_gz.h @@ -52,6 +52,6 @@ The dump custom/gz output file name must have a .gz suffix. E: Cannot open dump file -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/COMPRESS/dump_xyz_gz.h b/src/COMPRESS/dump_xyz_gz.h index b8aff215cf..45d5456ddb 100644 --- a/src/COMPRESS/dump_xyz_gz.h +++ b/src/COMPRESS/dump_xyz_gz.h @@ -52,6 +52,6 @@ The dump xyz/gz output file name must have a .gz suffix. E: Cannot open dump file -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/CORESHELL/compute_temp_cs.h b/src/CORESHELL/compute_temp_cs.h index d54b2d0ee7..5a1d1434c3 100644 --- a/src/CORESHELL/compute_temp_cs.h +++ b/src/CORESHELL/compute_temp_cs.h @@ -103,6 +103,7 @@ Could not find or more atoms in the bond pairs. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h index 1c893363dd..eb1ff404b0 100644 --- a/src/GPU/pair_eam_alloy_gpu.h +++ b/src/GPU/pair_eam_alloy_gpu.h @@ -58,11 +58,12 @@ public: E: Insufficient memory on accelerator -UNDOCUMENTED +There is insufficient memory on one of the devices specified for the gpu +package E: Cannot use newton pair with eam/alloy/gpu pair style -UNDOCUMENTED +Self-explanatory. E: Incorrect args for pair coefficients diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h index 0d038ea91c..03c6d189b2 100644 --- a/src/GPU/pair_eam_fs_gpu.h +++ b/src/GPU/pair_eam_fs_gpu.h @@ -58,11 +58,12 @@ public: E: Insufficient memory on accelerator -UNDOCUMENTED +There is insufficient memory on one of the devices specified for the gpu +package E: Cannot use newton pair with eam/fs/gpu pair style -UNDOCUMENTED +Self-explanatory. E: Incorrect args for pair coefficients diff --git a/src/GPU/pair_lj_cubic_gpu.h b/src/GPU/pair_lj_cubic_gpu.h index 99f85f0958..1591eb8b9e 100644 --- a/src/GPU/pair_lj_cubic_gpu.h +++ b/src/GPU/pair_lj_cubic_gpu.h @@ -53,10 +53,6 @@ package E: Cannot use newton pair with lj/cubic/gpu pair style -UNDOCUMENTED - -U: Cannot use newton pair with lj/cut/gpu pair style - Self-explanatory. */ diff --git a/src/GPU/pair_tersoff_gpu.h b/src/GPU/pair_tersoff_gpu.h index b7d384e043..4fa358a6b1 100644 --- a/src/GPU/pair_tersoff_gpu.h +++ b/src/GPU/pair_tersoff_gpu.h @@ -56,7 +56,7 @@ package E: Pair style tersoff/gpu requires atom IDs -UNDOCUMENTED +This is a requirement to use the tersoff/gpu potential. E: Pair style tersoff/gpu requires newton pair off diff --git a/src/GPU/pair_zbl_gpu.h b/src/GPU/pair_zbl_gpu.h index 3255e6e043..0939dafaaa 100644 --- a/src/GPU/pair_zbl_gpu.h +++ b/src/GPU/pair_zbl_gpu.h @@ -53,10 +53,6 @@ package E: Cannot use newton pair with zbl/gpu pair style -UNDOCUMENTED - -U: Cannot use newton pair with gauss/gpu pair style - -Self-explanatory. +Self-explantory. */ diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index 208d300083..05fee0c8d6 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -394,7 +394,7 @@ void PairGranHookeHistory::init_style() // error and warning checks if (!atom->radius_flag || !atom->rmass_flag) - error->all(FLERR,"Pair granular requires atom atrributes radius, rmass"); + error->all(FLERR,"Pair granular requires atom atributes radius, rmass"); if (comm->ghost_velocity == 0) error->all(FLERR,"Pair granular requires ghost atoms store velocity"); diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index 493dc39e07..1e58ad48e0 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -85,7 +85,7 @@ Self-explanatory. Check the input script or data file. E: Pair granular requires atom atrributes radius, rmass -UNDOCUMENTED +The atom style defined does not have these attributes. E: Pair granular requires ghost atoms store velocity @@ -98,10 +98,7 @@ granular styles with history. E: Could not find pair fix ID -UNDOCUMENTED - -U: Pair granular requires atom style sphere - -Self-explanatory. +A fix is created internally by the pair style to store shear +history information. You cannot delete it. */ diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h index 53f0b91f5f..9bcd07aa4f 100644 --- a/src/KOKKOS/atom_kokkos.h +++ b/src/KOKKOS/atom_kokkos.h @@ -112,6 +112,6 @@ class SortFunctor { E: KOKKOS package requires a kokkos enabled atom_style -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp index d41a88bd88..10043d5dd0 100644 --- a/src/KOKKOS/atom_vec_full_kokkos.cpp +++ b/src/KOKKOS/atom_vec_full_kokkos.cpp @@ -764,11 +764,8 @@ struct AtomVecFullKokkos_PackBorder { union ubuf { double d; int64_t i; - KOKKOS_INLINE_FUNCTION ubuf(double arg) : d(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int64_t arg) : i(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int arg) : i(arg) {} }; @@ -1033,11 +1030,8 @@ struct AtomVecFullKokkos_UnpackBorder { union ubuf { double d; int64_t i; - KOKKOS_INLINE_FUNCTION ubuf(double arg) : d(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int64_t arg) : i(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int arg) : i(arg) {} }; @@ -1183,11 +1177,8 @@ struct AtomVecFullKokkos_PackExchangeFunctor { union ubuf { double d; int64_t i; - KOKKOS_INLINE_FUNCTION ubuf(double arg) : d(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int64_t arg) : i(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int arg) : i(arg) {} }; @@ -1536,11 +1527,8 @@ struct AtomVecFullKokkos_UnpackExchangeFunctor { union ubuf { double d; int64_t i; - KOKKOS_INLINE_FUNCTION ubuf(double arg) : d(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int64_t arg) : i(arg) {} - KOKKOS_INLINE_FUNCTION ubuf(int arg) : i(arg) {} }; diff --git a/src/KOKKOS/compute_temp_kokkos.h b/src/KOKKOS/compute_temp_kokkos.h index e33eb2bca2..2bb0f9cbb2 100755 --- a/src/KOKKOS/compute_temp_kokkos.h +++ b/src/KOKKOS/compute_temp_kokkos.h @@ -100,12 +100,7 @@ class ComputeTempKokkos : public ComputeTemp { E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED - -U: 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. +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/KOKKOS/dihedral_opls_kokkos.h b/src/KOKKOS/dihedral_opls_kokkos.h index 5bf2552d9b..183c39ea37 100755 --- a/src/KOKKOS/dihedral_opls_kokkos.h +++ b/src/KOKKOS/dihedral_opls_kokkos.h @@ -13,9 +13,9 @@ #ifdef DIHEDRAL_CLASS -DihedralStyle(opls/kk,DihedralOPLSKokkos) -DihedralStyle(opls/kk/device,DihedralOPLSKokkos) -DihedralStyle(opls/kk/host,DihedralOPLSKokkos) +DihedralStyle(charmm/kk,DihedralOPLSKokkos) +DihedralStyle(charmm/kk/device,DihedralOPLSKokkos) +DihedralStyle(charmm/kk/host,DihedralOPLSKokkos) #else diff --git a/src/KOKKOS/domain_kokkos.h b/src/KOKKOS/domain_kokkos.h index 96dd75fdec..50429008dc 100644 --- a/src/KOKKOS/domain_kokkos.h +++ b/src/KOKKOS/domain_kokkos.h @@ -65,6 +65,6 @@ class DomainKokkos : public Domain { E: Illegal simulation box -UNDOCUMENTED +The lower bound of the simulation box is greater than the upper bound. */ diff --git a/src/KOKKOS/fix_deform_kokkos.h b/src/KOKKOS/fix_deform_kokkos.h index f0330046b5..8fa12a2e37 100755 --- a/src/KOKKOS/fix_deform_kokkos.h +++ b/src/KOKKOS/fix_deform_kokkos.h @@ -46,63 +46,6 @@ class FixDeformKokkos : public FixDeform { E: Cannot (yet) use rigid bodies with fix deform and Kokkos -UNDOCUMENTED - -U: 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. - -U: Fix deform tilt factors require triclinic box - -Cannot deform the tilt factors of a simulation box unless it -is a triclinic (non-orthogonal) box. - -U: Cannot use fix deform on a shrink-wrapped boundary - -The x, y, z options cannot be applied to shrink-wrapped -dimensions. - -U: Cannot use fix deform tilt on a shrink-wrapped 2nd dim - -This is because the shrink-wrapping will change the value -of the strain implied by the tilt factor. - -U: Fix deform volume setting is invalid - -Cannot use volume style unless other dimensions are being controlled. - -U: More than one fix deform - -Only one fix deform can be defined at a time. - -U: Variable name for fix deform does not exist - -Self-explantory. - -U: Variable for fix deform is invalid style - -The variable must be an equal-style variable. - -U: Final box dimension due to fix deform is < 0.0 - Self-explanatory. -U: Cannot use fix deform trate on a box with zero tilt - -The trate style alters the current strain. - -U: Fix deform cannot use yz variable with xy - -The yz setting cannot be a variable if xy deformation is also -specified. This is because LAMMPS cannot determine if the yz setting -will induce a box flip which would be invalid if xy is also changing. - -U: Fix deform is changing yz too much with xy - -When both yz and xy are changing, it induces changes in xz if the -box must flip from one tilt extreme to another. Thus it is not -allowed for yz to grow so much that a flip is induced. - */ diff --git a/src/KOKKOS/fix_nh_kokkos.h b/src/KOKKOS/fix_nh_kokkos.h index 5777824abb..a625cdbc20 100755 --- a/src/KOKKOS/fix_nh_kokkos.h +++ b/src/KOKKOS/fix_nh_kokkos.h @@ -85,10 +85,11 @@ class FixNHKokkos : public FixNH { E: Cannot (yet) use rigid bodies with fix nh and Kokkos -UNDOCUMENTED +Self-explanatory. E: Fix npt/nph has tilted box too far in one step - periodic cell is too far from equilibrium state -UNDOCUMENTED +Self-explanatory. The change in the box tilt is too extreme +on a short timescale. */ diff --git a/src/KOKKOS/fix_nph_kokkos.h b/src/KOKKOS/fix_nph_kokkos.h index 04519ddbab..f555814a3a 100755 --- a/src/KOKKOS/fix_nph_kokkos.h +++ b/src/KOKKOS/fix_nph_kokkos.h @@ -42,10 +42,10 @@ class FixNPHKokkos : public FixNHKokkos { E: Temperature control can not be used with fix nph -UNDOCUMENTED +Self-explanatory. E: Pressure control must be used with fix nph -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/fix_npt_kokkos.h b/src/KOKKOS/fix_npt_kokkos.h index e902e955e7..3d23fd9d8f 100755 --- a/src/KOKKOS/fix_npt_kokkos.h +++ b/src/KOKKOS/fix_npt_kokkos.h @@ -42,10 +42,10 @@ class FixNPTKokkos : public FixNHKokkos { E: Temperature control must be used with fix npt -UNDOCUMENTED +Self-explanatory. E: Pressure control must be used with fix npt -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/fix_nvt_kokkos.h b/src/KOKKOS/fix_nvt_kokkos.h index decf314db6..4084b4f032 100755 --- a/src/KOKKOS/fix_nvt_kokkos.h +++ b/src/KOKKOS/fix_nvt_kokkos.h @@ -43,10 +43,10 @@ class FixNVTKokkos : public FixNHKokkos { E: Temperature control must be used with fix nvt -UNDOCUMENTED +Self-explanatory. E: Pressure control can not be used with fix nvt -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h index 20d38da21e..ffac06e874 100644 --- a/src/KOKKOS/kokkos.h +++ b/src/KOKKOS/kokkos.h @@ -57,7 +57,7 @@ One or more GPUs must be used when Kokkos is compiled for CUDA. E: Must use Kokkos half/thread or full neighbor list with threads or GPUs -Using Kokkos half neighbor list with threading is not allowed. +Using Kokkos half-neighbor lists with threading is not allowed. E: Illegal ... command diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.h b/src/KOKKOS/pair_buck_coul_cut_kokkos.h index 4cca6cb85a..89730e32e0 100644 --- a/src/KOKKOS/pair_buck_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.h @@ -133,14 +133,16 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with buck/coul/cut/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.h b/src/KOKKOS/pair_buck_coul_long_kokkos.h index df2c57c4b0..04586bd1a3 100644 --- a/src/KOKKOS/pair_buck_coul_long_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_long_kokkos.h @@ -149,14 +149,16 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with buck/coul/long/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_coul_debye_kokkos.h b/src/KOKKOS/pair_coul_debye_kokkos.h index d0a9997666..4007108588 100644 --- a/src/KOKKOS/pair_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_coul_debye_kokkos.h @@ -134,14 +134,16 @@ class PairCoulDebyeKokkos : public PairCoulDebye { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with coul/debye/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_coul_long_kokkos.h b/src/KOKKOS/pair_coul_long_kokkos.h index 5a5ee63a0a..af38686d68 100644 --- a/src/KOKKOS/pair_coul_long_kokkos.h +++ b/src/KOKKOS/pair_coul_long_kokkos.h @@ -153,14 +153,16 @@ class PairCoulLongKokkos : public PairCoulLong { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with buck/coul/long/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.h b/src/KOKKOS/pair_eam_alloy_kokkos.h index 65ad14303f..6d6f1926e5 100755 --- a/src/KOKKOS/pair_eam_alloy_kokkos.h +++ b/src/KOKKOS/pair_eam_alloy_kokkos.h @@ -178,22 +178,24 @@ class PairEAMAlloyKokkos : public PairEAM { E: Cannot use chosen neighbor list style with pair eam/kk/alloy -That style is not supported by Kokkos. +Self-explanatory. E: Incorrect args for pair coefficients -UNDOCUMENTED +Self-explanatory. Check the input script or data file. E: No matching element in EAM potential file -UNDOCUMENTED +The EAM potential file does not contain elements that match the +requested elements. E: Cannot open EAM potential file %s -UNDOCUMENTED +The specified EAM potential file cannot be opened. Check that the +path and name are correct. E: Incorrect element names in EAM potential file -UNDOCUMENTED +The element names in the EAM file do not match those requested. */ diff --git a/src/KOKKOS/pair_eam_fs_kokkos.h b/src/KOKKOS/pair_eam_fs_kokkos.h index 0ee514a6d8..6049c3eaaf 100755 --- a/src/KOKKOS/pair_eam_fs_kokkos.h +++ b/src/KOKKOS/pair_eam_fs_kokkos.h @@ -178,22 +178,24 @@ class PairEAMFSKokkos : public PairEAM { E: Cannot use chosen neighbor list style with pair eam/kk/fs -That style is not supported by Kokkos. +Self-explanatory. E: Incorrect args for pair coefficients -UNDOCUMENTED +Self-explanatory. Check the input script or data file. E: No matching element in EAM potential file -UNDOCUMENTED +The EAM potential file does not contain elements that match the +requested elements. E: Cannot open EAM potential file %s -UNDOCUMENTED +The specified EAM potential file cannot be opened. Check that the +path and name are correct. E: Incorrect element names in EAM potential file -UNDOCUMENTED +The element names in the EAM file do not match those requested. */ diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h index 458306875c..431aca589f 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h @@ -150,14 +150,16 @@ class PairLJCharmmCoulCharmmImplicitKokkos : public PairLJCharmmCoulCharmmImplic E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/charmm/coul/charmm/implicit/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h index a501961c37..9dc7914d3d 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h @@ -150,14 +150,16 @@ class PairLJCharmmCoulCharmmKokkos : public PairLJCharmmCoulCharmm { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/charmm/coul/charmm/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h index e74aee1284..8f50722e01 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h @@ -149,10 +149,10 @@ class PairLJCharmmCoulLongKokkos : public PairLJCharmmCoulLong { E: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/charmm/coul/long/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h index 5cfacd2ec2..a1d8a8bded 100644 --- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h @@ -129,14 +129,16 @@ class PairLJClass2CoulCutKokkos : public PairLJClass2CoulCut { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/class2/coul/cut/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h index 98e0563989..72b0b8609e 100644 --- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h @@ -146,14 +146,16 @@ class PairLJClass2CoulLongKokkos : public PairLJClass2CoulLong { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/class2/coul/long/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_class2_kokkos.h b/src/KOKKOS/pair_lj_class2_kokkos.h index 457a663e7a..8dcabe5b0c 100644 --- a/src/KOKKOS/pair_lj_class2_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_kokkos.h @@ -123,14 +123,16 @@ class PairLJClass2Kokkos : public PairLJClass2 { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/class2/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h index ac32decb10..7d4527cb7f 100644 --- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h @@ -130,14 +130,16 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/cut/coul/debye/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h index 7c85a8c1a2..6272bfca35 100644 --- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h @@ -129,10 +129,10 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF { E: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/cut/coul/cut/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_expand_kokkos.h b/src/KOKKOS/pair_lj_expand_kokkos.h index f7101fa963..172ccaae73 100644 --- a/src/KOKKOS/pair_lj_expand_kokkos.h +++ b/src/KOKKOS/pair_lj_expand_kokkos.h @@ -124,14 +124,16 @@ class PairLJExpandKokkos : public PairLJExpand { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/expand/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h index 737e140367..492ef0c369 100644 --- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h @@ -150,14 +150,16 @@ class PairLJGromacsCoulGromacsKokkos : public PairLJGromacsCoulGromacs { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/gromacs/coul/gromacs/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_kokkos.h index aeb2f814d0..bfe752e93f 100644 --- a/src/KOKKOS/pair_lj_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_kokkos.h @@ -152,14 +152,16 @@ class PairLJGromacsKokkos : public PairLJGromacs { E: Illegal ... command -UNDOCUMENTED +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: Cannot use Kokkos pair style with rRESPA inner/middle -UNDOCUMENTED +Self-explanatory. E: Cannot use chosen neighbor list style with lj/gromacs/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h index e8fd39f6e1..cec240e064 100755 --- a/src/KOKKOS/pair_sw_kokkos.h +++ b/src/KOKKOS/pair_sw_kokkos.h @@ -149,6 +149,6 @@ class PairSWKokkos : public PairSW { E: Cannot use chosen neighbor list style with pair sw/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h index 768d6b7669..c810a052dc 100755 --- a/src/KOKKOS/pair_tersoff_kokkos.h +++ b/src/KOKKOS/pair_tersoff_kokkos.h @@ -219,6 +219,6 @@ class PairTersoffKokkos : public PairTersoff { E: Cannot use chosen neighbor list style with tersoff/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h index f74120ee32..07a76b4e66 100755 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.h +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h @@ -219,6 +219,6 @@ class PairTersoffMODKokkos : public PairTersoffMOD { E: Cannot use chosen neighbor list style with tersoff/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h index 54098e1bb8..d580634197 100755 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h @@ -230,10 +230,10 @@ class PairTersoffZBLKokkos : public PairTersoffZBL { E: Pair tersoff/zbl/kk requires metal or real units -UNDOCUMENTED +This is a current restriction of this pair potential. E: Cannot use chosen neighbor list style with tersoff/zbl/kk -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index dca77b6031..a0408d55dd 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -284,6 +284,6 @@ path and name are correct. E: Incorrect table format check for element types -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index d855ba7010..110c86ab39 100755 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -764,7 +764,7 @@ void PairPolymorphic::setup_params() // for debugging, call write_tables() to check the tabular functions // if (comm->me == 0) { // write_tables(51); -// error->all(FLERR,"Test potential tables"); +// error->Xall(FLERR,"Test potential tables"); // } } diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index 4c70ca7630..9b7fe761bb 100755 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -322,38 +322,39 @@ class PairPolymorphic : public Pair { E: Illegal ... command -UNDOCUMENTED +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 -UNDOCUMENTED +Self-explanatory. Check the input script or data file. E: Pair style polymorphic requires atom IDs -UNDOCUMENTED +This is a requirement to use the polymorphic potential. E: Pair style polymorphic requires newton pair on -UNDOCUMENTED +See the newton command. This is a restriction to use the polymorphic +potential. E: All pair coeffs are not set -UNDOCUMENTED +All pair coefficients must be set in the data file or by the +pair_coeff command before running a simulation. E: Cannot open polymorphic potential file %s -UNDOCUMENTED +The specified polymorphic potential file cannot be opened. Check that +the path and name are correct. E: Incorrect number of elements in potential file -UNDOCUMENTED +Self-explanatory. E: Element not defined in potential file -UNDOCUMENTED - -E: Test potential tables - -UNDOCUMENTED +The specified element is not in the potential file. */ diff --git a/src/MC/fix_atom_swap.h b/src/MC/fix_atom_swap.h index 1c411859a3..25208a2b5a 100644 --- a/src/MC/fix_atom_swap.h +++ b/src/MC/fix_atom_swap.h @@ -135,7 +135,7 @@ Self-explanatory. E: All atoms of a swapped type must have same charge. -UNDOCUMENTED +Self-explanatory. E: Cannot do atom/swap on atoms in atom_modify first group diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index 7f6cd6c5c9..82b4733587 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -180,7 +180,7 @@ Self-explanatory. E: Fix gcmc molecule has charges, but atom style does not -UNDOCUMENTED +Self-explanatory. E: Fix gcmc molecule template ID must be same as atom_style template ID @@ -189,7 +189,7 @@ not in that template. E: Fix gcmc atom has charge, but atom style does not -UNDOCUMENTED +Self-explanatory. E: Cannot use fix gcmc shake and not molecule @@ -267,15 +267,16 @@ than or equal to zero. E: Cannot do GCMC on atoms in atom_modify first group -UNDOCUMENTED +This is a restriction due to the way atoms are organized in a list to +enable the atom_modify first command. E: Could not find specified fix gcmc group ID -UNDOCUMENTED +Self-explanatory. E: Fix gcmc put atom outside box -UNDOCUMENTED +This should not normally happen. Contact the developers. E: Fix gcmc ran out of available molecule IDs @@ -289,9 +290,4 @@ E: Too many total atoms See the setting for bigint in the src/lmptype.h file. -U: Cannot do gcmc on atoms in atom_modify first group - -This is a restriction due to the way atoms are organized in a list to -enable the atom_modify first command. - */ diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h index 8cf19d128d..76fc4f89e7 100644 --- a/src/MISC/fix_deposit.h +++ b/src/MISC/fix_deposit.h @@ -155,7 +155,9 @@ Self-explanatory. W: Fix deposit near setting < possible overlap separation %g -UNDOCUMENTED +This test is performed for finite size particles with a diameter, not +for point particles. The near setting is smaller than the particle +diameter which can lead to overlaps. W: Particle deposition was unsuccessful diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index 22f8665ac7..fb9ae67098 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -258,7 +258,8 @@ incorrect. W: Cannot count rigid body degrees-of-freedom before bodies are fully initialized -UNDOCUMENTED +This means the temperature associated with the rigid bodies may be +incorrect on this timestep. W: Computing temperature of portions of rigid bodies @@ -273,7 +274,7 @@ Image flags for non-periodic dimensions should not be set. E: One or more rigid bodies are a single particle -UNDOCUMENTED +Self-explanatory. E: Inconsistent use of finite-size particles by molecule template molecules @@ -320,9 +321,4 @@ cutoff command to insure ghost atoms are acquired from far enough away to encompass the max distance printed when the fix rigid/small command was invoked. -U: Cannot count rigid body degrees-of-freedom before bodies are fully initialized h - -This means the temperature associated with the rigid bodies may be -incorrect on this timestep. - */ diff --git a/src/atom.h b/src/atom.h index 4ff4d9c1c5..d5e3ba10a3 100644 --- a/src/atom.h +++ b/src/atom.h @@ -362,27 +362,29 @@ Self-explanatory. E: One or more Atom IDs is negative -UNDOCUMENTED +Atom IDs must be positive integers. E: One or more atom IDs is too big -UNDOCUMENTED +The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL +setting in your Makefile. See Section_start 2.2 of the manual for +more details. E: One or more atom IDs is zero -UNDOCUMENTED +Either all atoms IDs must be zero or none of them. E: Non-zero atom IDs with atom_modify id = no -UNDOCUMENTED +Self-explanatory. E: All atom IDs = 0 but atom_modify id = yes -UNDOCUMENTED +Self-explanatory. E: Duplicate atom IDs exist -UNDOCUMENTED +Self-explanatory. E: New atom IDs exceed maximum allowed ID @@ -395,7 +397,7 @@ the atom style. E: Invalid atom type in Atoms section of data file -UNDOCUMENTED +Atom types can be no larger than defined Ntypes. E: Incorrect velocity format in data file @@ -507,22 +509,4 @@ E: Too many atom sorting bins This is likely due to an immense simulation box that has blown up to a large size. -U: Atom ID is negative - -Self-explanatory. - -U: Atom ID is too big - -The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL -setting in your Makefile. See Section_start 2.2 of the manual for -more details. - -U: Atom ID is zero - -Either all atoms IDs must be zero or none of them. - -U: Not all atom IDs are 0 - -Either all atoms IDs must be zero or none of them. - */ diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h index fd0199ee13..9ab935f91d 100644 --- a/src/atom_vec_body.h +++ b/src/atom_vec_body.h @@ -151,6 +151,6 @@ Self-explanatory. E: Assigning quat to non-body atom -UNDOCUMENTED +Self-explanatory. */ diff --git a/src/comm.cpp b/src/comm.cpp index 073166d229..60d734d759 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -265,7 +265,7 @@ void Comm::modify_params(int narg, char **arg) } else if (strcmp(arg[iarg],"cutoff") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal comm_modify command"); if (mode == MULTI) - error->all(FLERR,"Use cutoff/multi flag to set cutoff in multi mode"); + error->all(FLERR,"Use cutoff/multi keyword to set cutoff in multi mode"); cutghostuser = force->numeric(FLERR,arg[iarg+1]); if (cutghostuser < 0.0) error->all(FLERR,"Invalid cutoff in comm_modify command"); @@ -274,7 +274,7 @@ void Comm::modify_params(int narg, char **arg) int i,nlo,nhi; double cut; if (mode == SINGLE) - error->all(FLERR,"Use cutoff flag to set cutoff in single mode"); + error->all(FLERR,"Use cutoff keyword to set cutoff in single mode"); if (domain->box_exist == 0) error->all(FLERR, "Cannot set cutoff/multi before simulation box is defined"); diff --git a/src/comm.h b/src/comm.h index 90f3cd6d35..f6404868df 100644 --- a/src/comm.h +++ b/src/comm.h @@ -163,21 +163,21 @@ E: Comm_modify group != atom_modify first group Self-explanatory. -E: Use cutoff/multi flag to set cutoff in multi mode +E: Use cutoff/multi keyword to set cutoff in multi mode -UNDOCUMENTED +Mode is multi so cutoff keyword cannot be used. E: Invalid cutoff in comm_modify command Specified cutoff must be >= 0.0. -E: Use cutoff flag to set cutoff in single mode +E: Use cutoff keyword to set cutoff in single mode -UNDOCUMENTED +Mode is single so cutoff/multi keyword cannot be used. E: Cannot set cutoff/multi before simulation box is defined -UNDOCUMENTED +Self-explanatory. E: Specified processors != physical processors diff --git a/src/compute_chunk_atom.h b/src/compute_chunk_atom.h index b8e76a924c..cbec221048 100644 --- a/src/compute_chunk_atom.h +++ b/src/compute_chunk_atom.h @@ -155,15 +155,15 @@ That discard option only applies to the binning styles. E: Compute chunk/atom sphere z origin must be 0.0 for 2d -UNDOCUMENTED +Self-explanatory. E: Compute chunk/atom cylinder axis must be z for 2d -UNDOCUMENTED +Self-explanatory. E: Compute ID for compute chunk /atom does not exist -UNDOCUMENTED +Self-explanatory. E: Compute chunk/atom compute does not calculate per-atom values @@ -248,11 +248,11 @@ The lo/hi values are inconsistent. E: Compute chunk/atom bin/sphere radius is too large for periodic box -UNDOCUMENTED +Radius cannot be bigger than 1/2 of any periodic dimention. E: Compute chunk/atom bin/cylinder radius is too large for periodic box -UNDOCUMENTED +Radius cannot be bigger than 1/2 of a non-axis periodic dimention. E: Cannot use compute chunk/atom bin z for 2d model diff --git a/src/compute_hexorder_atom.h b/src/compute_hexorder_atom.h index 0508da7d3f..84c80abc57 100644 --- a/src/compute_hexorder_atom.h +++ b/src/compute_hexorder_atom.h @@ -66,7 +66,7 @@ Self-explantory. E: Compute hexorder/atom cutoff is longer than pairwise cutoff -UNDOCUMENTED +Cannot compute order parameter beyond cutoff. W: More than one compute hexorder/atom diff --git a/src/compute_msd_chunk.h b/src/compute_msd_chunk.h index 54f149784e..216fde33bc 100644 --- a/src/compute_msd_chunk.h +++ b/src/compute_msd_chunk.h @@ -78,7 +78,7 @@ The style of the specified compute is not chunk/atom. E: Could not find compute msd/chunk fix ID -UNDOCUMENTED +The compute creates an internal fix, which has been deleted. E: Compute msd/chunk nchunk is not static diff --git a/src/compute_orientorder_atom.h b/src/compute_orientorder_atom.h index 93f9f7b4af..9c5ec14f56 100644 --- a/src/compute_orientorder_atom.h +++ b/src/compute_orientorder_atom.h @@ -75,7 +75,7 @@ Self-explantory. E: Compute orientorder/atom cutoff is longer than pairwise cutoff -UNDOCUMENTED +Cannot compute order parameter beyond cutoff. W: More than one compute orientorder/atom diff --git a/src/compute_temp.h b/src/compute_temp.h index 3313965303..1550ae7a99 100644 --- a/src/compute_temp.h +++ b/src/compute_temp.h @@ -54,6 +54,7 @@ command-line option when running LAMMPS to see the offending line. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_chunk.h b/src/compute_temp_chunk.h index a4ddf8f420..d47d6d79ec 100644 --- a/src/compute_temp_chunk.h +++ b/src/compute_temp_chunk.h @@ -108,6 +108,7 @@ The style of the specified compute is not chunk/atom. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_com.h b/src/compute_temp_com.h index 1d90028db2..47587ceccc 100644 --- a/src/compute_temp_com.h +++ b/src/compute_temp_com.h @@ -60,6 +60,7 @@ command-line option when running LAMMPS to see the offending line. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_deform.h b/src/compute_temp_deform.h index c1f5469008..33ca83c73d 100644 --- a/src/compute_temp_deform.h +++ b/src/compute_temp_deform.h @@ -70,6 +70,7 @@ compute temp/deform in this case. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_partial.h b/src/compute_temp_partial.h index a66c8f0fd2..8a5c260db1 100644 --- a/src/compute_temp_partial.h +++ b/src/compute_temp_partial.h @@ -67,6 +67,7 @@ Self-explanatory. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_profile.h b/src/compute_temp_profile.h index 4890a3f252..d78e5396d6 100644 --- a/src/compute_temp_profile.h +++ b/src/compute_temp_profile.h @@ -85,6 +85,7 @@ Self-explanatory. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index ef6432146c..0e10e519cb 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -65,6 +65,7 @@ command-line option when running LAMMPS to see the offending line. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_region.h b/src/compute_temp_region.h index 08b11641a7..95194d7fdf 100644 --- a/src/compute_temp_region.h +++ b/src/compute_temp_region.h @@ -65,6 +65,7 @@ Self-explanatory. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h index 3b7418642d..ae72fe2684 100644 --- a/src/compute_temp_sphere.h +++ b/src/compute_temp_sphere.h @@ -82,6 +82,7 @@ compute. E: Temperature compute degrees of freedom < 0 -UNDOCUMENTED +This should not happen if you are calculating the temperature +on a valid set of atoms. */ diff --git a/src/delete_atoms.h b/src/delete_atoms.h index 6bda837598..6fc2ea1f90 100644 --- a/src/delete_atoms.h +++ b/src/delete_atoms.h @@ -113,10 +113,6 @@ molecule template. E: Delete_atoms mol yes requires atom attribute molecule -UNDOCUMENTED - -U: Cannot delete_atoms mol yes for non-molecular systems - -Self-explanatory. +Cannot use this option with a non-molecular system. */ diff --git a/src/displace_atoms.h b/src/displace_atoms.h index 239627b1b0..c303332900 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -81,10 +81,10 @@ The command options you have used caused atoms to be lost. E: Variable name for displace_atoms does not exist -UNDOCUMENTED +Self-explanatory. E: Variable for displace_atoms is invalid style -UNDOCUMENTED +It must be an equal-style or atom-style variable. */ diff --git a/src/dump_image.h b/src/dump_image.h index e17e73c7a3..64846e3e4b 100644 --- a/src/dump_image.h +++ b/src/dump_image.h @@ -137,15 +137,15 @@ Self-explanatory. E: Dump image line requires atom style line -UNDOCUMENTED +Self-explanatory. E: Dump image tri requires atom style tri -UNDOCUMENTED +Self-explanatory. E: Dump image body yes requires atom style body -UNDOCUMENTED +Self-explanatory. E: Dump image requires one snapshot per file diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h index b882923876..18622699de 100644 --- a/src/fix_ave_chunk.h +++ b/src/fix_ave_chunk.h @@ -89,7 +89,7 @@ command-line option when running LAMMPS to see the offending line. E: No values in fix ave/chunk command -UNDOCUMENTED +Self-explanatory. E: Cannot open fix ave/chunk file %s @@ -166,7 +166,7 @@ The specified conpute is not for a compute chunk/atom command. E: Error writing file header -UNDOCUMENTED +Something in the output to the file triggered an error. E: Fix for fix ave/chunk not computed at compatible time @@ -180,6 +180,6 @@ fix needs to process. E: Error writing averaged chunk data -UNDOCUMENTED +Something in the output to the file triggered an error. */ diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h index 2b5bb46594..6c592923a3 100644 --- a/src/fix_ave_correlate.h +++ b/src/fix_ave_correlate.h @@ -127,7 +127,7 @@ Self-explanatory. E: Error writing file header -UNDOCUMENTED +Something in the output to the file triggered an error. E: Invalid timestep reset for fix ave/correlate @@ -136,6 +136,6 @@ fix needs to process. E: Error writing out correlation data -UNDOCUMENTED +Something in the output to the file triggered an error. */ diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index fbf3dfc19d..44109b8f17 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -215,7 +215,7 @@ Self-explanatory. E: Error writing file header -UNDOCUMENTED +Something in the output to the file triggered an error. E: Invalid timestep reset for fix ave/histo @@ -224,7 +224,7 @@ fix needs to process. E: Error writing out histogram data -UNDOCUMENTED +Something in the output to the file triggered an error. E: Cannot open fix ave/histo file %s diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h index 6de08d8158..2eba1a0468 100644 --- a/src/fix_ave_histo_weight.h +++ b/src/fix_ave_histo_weight.h @@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line. E: Fix ave/histo/weight value and weight vector lengths do not match -UNDOCUMENTED +Self-explanatory. E: Invalid timestep reset for fix ave/histo @@ -61,141 +61,6 @@ fix needs to process. E: Error writing out histogram data -UNDOCUMENTED - -U: Compute ID for fix ave/histo does not exist - -Self-explanatory. - -U: Fix ID for fix ave/histo does not exist - -Self-explanatory. - -U: Fix ave/histo input is invalid compute - -Self-explanatory. - -U: Fix ave/histo input is invalid fix - -Self-explanatory. - -U: Fix ave/histo input is invalid variable - -Self-explanatory. - -U: Fix ave/histo inputs are not all global, peratom, or local - -All inputs in a single fix ave/histo command must be of the -same style. - -U: Fix ave/histo cannot input per-atom values in scalar mode - -Self-explanatory. - -U: Fix ave/histo cannot input local values in scalar mode - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a global scalar - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a global vector - -Self-explanatory. - -U: Fix ave/histo compute vector is accessed out-of-range - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a global array - -Self-explanatory. - -U: Fix ave/histo compute array is accessed out-of-range - -Self-explanatory. - -U: Fix ave/histo compute does not calculate per-atom values - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a per-atom vector - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a per-atom array - -Self-explanatory. - -U: Fix ave/histo compute does not calculate local values - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a local vector - -Self-explanatory. - -U: Fix ave/histo compute does not calculate a local array - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a global scalar - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a global vector - -Self-explanatory. - -U: Fix ave/histo fix vector is accessed out-of-range - -Self-explanatory. - -U: Fix for fix ave/histo not computed at compatible time - -Fixes generate their values on specific timesteps. Fix ave/histo is -requesting a value on a non-allowed timestep. - -U: Fix ave/histo fix does not calculate a global array - -Self-explanatory. - -U: Fix ave/histo fix array is accessed out-of-range - -Self-explanatory. - -U: Fix ave/histo fix does not calculate per-atom values - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a per-atom vector - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a per-atom array - -Self-explanatory. - -U: Fix ave/histo fix does not calculate local values - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a local vector - -Self-explanatory. - -U: Fix ave/histo fix does not calculate a local array - -Self-explanatory. - -U: Variable name for fix ave/histo does not exist - -Self-explanatory. - -U: Cannot open fix ave/histo file %s - -The specified file cannot be opened. Check that the path and name are -correct. +Something in the output to the file triggered an error. */ diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 4c1f2d281f..98b665140c 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -90,7 +90,7 @@ command-line option when running LAMMPS to see the offending line. E: No values in fix ave/time command -UNDOCUMENTED +Self-explanatory. E: Compute ID for fix ave/time does not exist @@ -171,7 +171,7 @@ Variables produce scalar values. E: Error writing file header -UNDOCUMENTED +Something in the output to the file triggered an error. E: Fix ave/time cannot set output array intensive/extensive from these inputs @@ -186,7 +186,7 @@ fix needs to process. E: Error writing out time averaged data -UNDOCUMENTED +Something in the output to the file triggered an error. E: Fix ave/time columns are inconsistent lengths diff --git a/src/fix_move.h b/src/fix_move.h index f8fe89fa72..accc23c7f7 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -129,12 +129,4 @@ E: Resetting timestep size is not allowed with fix move This is because fix move is moving atoms based on elapsed time. -U: Fix move does not update angular momentum - -Atoms store this quantity, but fix move does not (yet) update it. - -U: Fix move does not update quaternions - -Atoms store this quantity, but fix move does not (yet) update it. - */ diff --git a/src/fix_nh.h b/src/fix_nh.h index dedfc3bf00..7227a22968 100644 --- a/src/fix_nh.h +++ b/src/fix_nh.h @@ -214,11 +214,11 @@ Settings for coupled dimensions must be the same. E: Using update dipole flag requires atom style sphere -UNDOCUMENTED +Self-explanatory. E: Using update dipole flag requires atom attribute mu -UNDOCUMENTED +Self-explanatory. E: Fix nvt/npt/nph damping parameters must be > 0.0 diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h index 2a13b03947..aefececd72 100644 --- a/src/fix_nve_limit.h +++ b/src/fix_nve_limit.h @@ -58,10 +58,7 @@ command-line option when running LAMMPS to see the offending line. W: Should not use fix nve/limit with fix shake or fix rattle -UNDOCUMENTED - -U: Should not use fix nve/limit with fix shake - -This will lead to invalid constraint forces in the SHAKE computation. +This will lead to invalid constraint forces in the SHAKE/RATTLE +computation. */ diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index 04da95b709..10a22be702 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -55,14 +55,10 @@ Self-explanatory. E: Fix nve/sphere dipole requires atom attribute mu -UNDOCUMENTED +An atom style with this attribute is needed. E: Fix nve/sphere requires extended particles This fix can only be used for particles of a finite size. -U: Fix nve/sphere requires atom attribute mu - -An atom style with this attribute is needed. - */ diff --git a/src/fix_property_atom.h b/src/fix_property_atom.h index 385125936f..e97b53cd1d 100644 --- a/src/fix_property_atom.h +++ b/src/fix_property_atom.h @@ -94,7 +94,7 @@ The name for an integer or floating-point vector must be unique. W: Fix property/atom mol or charge w/out ghost communication -UNDOCUMENTED +A model typically needs these properties defined for ghost atoms. E: Atom style was redefined after using fix property/atom @@ -107,7 +107,7 @@ not have the correct number of values per line. E: Too few lines in %s section of data file -UNDOCUMENTED +Self-explanatory. E: Invalid atom ID in %s section of data file diff --git a/src/fix_store.cpp b/src/fix_store.cpp index c627f1cc79..febdb39fc3 100644 --- a/src/fix_store.cpp +++ b/src/fix_store.cpp @@ -44,7 +44,7 @@ FixStore::FixStore(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) if (strcmp(arg[3],"global") == 0) flavor = GLOBAL; else if (strcmp(arg[3],"peratom") == 0) flavor = PERATOM; - else error->all(FLERR,"Invalid fix store command"); + else error->all(FLERR,"Illegal fix store command"); // GLOBAL values are always written to restart file // PERATOM restart_peratom is set by caller @@ -54,7 +54,7 @@ FixStore::FixStore(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) nrow = force->inumeric(FLERR,arg[4]); ncol = force->inumeric(FLERR,arg[5]); if (nrow <= 0 || ncol <= 0) - error->all(FLERR,"Invalid fix store command"); + error->all(FLERR,"Illegal fix store command"); vecflag = 0; if (ncol == 1) vecflag = 1; } @@ -62,7 +62,7 @@ FixStore::FixStore(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) restart_peratom = force->inumeric(FLERR,arg[4]); nvalues = force->inumeric(FLERR,arg[5]); if (restart_peratom < 0 or restart_peratom > 1 || nvalues <= 0) - error->all(FLERR,"Invalid fix store command"); + error->all(FLERR,"Illegal fix store command"); vecflag = 0; if (nvalues == 1) vecflag = 1; } diff --git a/src/fix_store.h b/src/fix_store.h index d0be64d146..9bdfc7d308 100644 --- a/src/fix_store.h +++ b/src/fix_store.h @@ -71,8 +71,4 @@ 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: Invalid fix store command - -UNDOCUMENTED - */ diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h index 847cdeff5e..96dd6c17dc 100644 --- a/src/fix_wall_region.h +++ b/src/fix_wall_region.h @@ -86,11 +86,7 @@ One of the particles has radius 0.0. E: Particle outside surface of region used in fix wall/region -UNDOCUMENTED - -U: Particle on or inside surface of region used in fix wall/region - -Particles must be "exterior" to the region surface in order for -energy/force to be calculated. +Particles must be inside the region for energy/force to be calculated. +A particle outside the region generates an error. */ diff --git a/src/group.h b/src/group.h index 423e351c78..47114b1740 100644 --- a/src/group.h +++ b/src/group.h @@ -138,7 +138,7 @@ A region ID used in the group command does not exist. E: Illegal range increment value -UNDOCUMENTED +The increment must be >= 1. E: Variable name for group does not exist diff --git a/src/info.cpp b/src/info.cpp index e2f3eab992..6bfd090b58 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -477,13 +477,13 @@ bool Info::is_active(const char *category, const char *name) return (lmp->kokkos && lmp->kokkos->kokkos_exists) ? true : false; } else if (strcmp(name,"omp") == 0) { return (modify->find_fix("package_omp") >= 0) ? true : false; - } else error->all(FLERR,"Unknown name for package category"); + } else error->all(FLERR,"Unknown name for info package category"); } else if (strcmp(category,"newton") == 0) { if (strcmp(name,"pair") == 0) return (force->newton_pair != 0); else if (strcmp(name,"bond") == 0) return (force->newton_bond != 0); else if (strcmp(name,"any") == 0) return (force->newton != 0); - else error->all(FLERR,"Unknown name for newton category"); + else error->all(FLERR,"Unknown name for info newton category"); } else if (strcmp(category,"pair") == 0) { if (force->pair == NULL) return false; @@ -492,7 +492,7 @@ bool Info::is_active(const char *category, const char *name) else if (strcmp(name,"manybody") == 0) return (force->pair->manybody_flag != 0); else if (strcmp(name,"tail") == 0) return (force->pair->tail_flag != 0); else if (strcmp(name,"shift") == 0) return (force->pair->offset_flag != 0); - else error->all(FLERR,"Unknown name for pair category"); + else error->all(FLERR,"Unknown name for info pair category"); } else if (strcmp(category,"comm_style") == 0) { style = commstyles[comm->style]; @@ -514,7 +514,7 @@ bool Info::is_active(const char *category, const char *name) style = force->improper_style; } else if (strcmp(category,"kspace_style") == 0) { style = force->kspace_style; - } else error->all(FLERR,"Unknown category for is_active()"); + } else error->all(FLERR,"Unknown category for info is_active()"); int match = 0; if (strcmp(style,name) == 0) match = 1; @@ -612,7 +612,7 @@ bool Info::is_available(const char *category, const char *name) delete[] name_w_suffix; } } - } else error->all(FLERR,"Unknown category for is_available()"); + } else error->all(FLERR,"Unknown category for info is_available()"); return match ? true : false; } @@ -670,7 +670,7 @@ bool Info::is_defined(const char *category, const char *name) if (strcmp(names[i],name) == 0) return true; } - } else error->all(FLERR,"Unknown category for is_defined()"); + } else error->all(FLERR,"Unknown category for info is_defined()"); return false; } diff --git a/src/info.h b/src/info.h index 66c13715e8..22906d0473 100644 --- a/src/info.h +++ b/src/info.h @@ -43,37 +43,31 @@ class Info : protected Pointers { W: Ignoring unknown or incorrect info command flag -Self-explanatory. The an unknown argument was given to the info command. +Self-explanatory. An unknown argument was given to the info command. Compare your input with the documentation. -E: Unknown name for package category +E: Unknown name for info package category -UNDOCUMENTED +Self-explanatory. -E: Unknown name for newton category +E: Unknown name for info newton category -UNDOCUMENTED +Self-explanatory. -E: Unknown name for pair category +E: Unknown name for info pair category -UNDOCUMENTED +Self-explanatory. -E: Unknown category for is_active() +E: Unknown category info for is_active() -UNDOCUMENTED +Self-explanatory. -E: Unknown category for is_available() +E: Unknown category info for is_available() -UNDOCUMENTED +Self-explanatory. -E: Unknown category for is_defined() +E: Unknown category info for is_defined() -UNDOCUMENTED - -U: 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. +Self-explanatory. */ diff --git a/src/input.cpp b/src/input.cpp index a38e91b2d4..a387206241 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -1092,7 +1092,7 @@ char *shell_failed_message(const char* cmd, int errnum) const char *errmsg = strerror(errnum); int len = strlen(cmd)+strlen(errmsg)+64; char *msg = new char[len]; - sprintf(msg,"shell command '%s' failed with error '%s'", cmd, errmsg); + sprintf(msg,"Shell command '%s' failed with error '%s'", cmd, errmsg); return msg; } @@ -1195,7 +1195,7 @@ void Input::shell() if (me == 0) if (system(work) != 0) - error->warning(FLERR,"shell command returned with non-zero status"); + error->warning(FLERR,"Shell command returned with non-zero status"); } } diff --git a/src/input.h b/src/input.h index 7ed88f2140..9bdedabe14 100644 --- a/src/input.h +++ b/src/input.h @@ -200,13 +200,13 @@ E: Cannot open print file %s Self-explanatory. -W: shell command '%s' failed with error '%s' +W: Shell command '%s' failed with error '%s' -UNDOCUMENTED +Self-explanatory. -W: shell command returned with non-zero status +W: Shell command returned with non-zero status -UNDOCUMENTED +This may indicate the shell command did not operate as expected. E: Angle_coeff command before simulation box is defined diff --git a/src/kspace.h b/src/kspace.h index 2c14e11b93..5519a8c56f 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -222,7 +222,7 @@ Self-explanatory. E: System is not charge neutral, net charge = %g -The total charge on all atoms in the system is not 0.0. +The total charge on all atoms on the system is not 0.0. For some KSpace solvers this is an error. W: System is not charge neutral, net charge = %g diff --git a/src/molecule.cpp b/src/molecule.cpp index 8ac2c037ee..dc60b98e8b 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -461,7 +461,7 @@ void Molecule::read(int flag) // error checks - if (natoms < 1) error->all(FLERR,"No or invalid atom count in molecule file"); + if (natoms < 1) error->all(FLERR,"No count or invalid atom count in molecule file"); if (nbonds < 0) error->all(FLERR,"Invalid bond count in molecule file"); if (nangles < 0) error->all(FLERR,"Invalid angle count in molecule file"); if (ndihedrals < 0) @@ -1145,7 +1145,7 @@ void Molecule::special_generate() atom1 = i; atom2 = bond_atom[i][j]; if (count[atom1] >= maxspecial) - error->one(FLERR,""); + error->one(FLERR,"Molecule auto special bond generation overflow"); special[i][count[atom1]++] = atom2; } } diff --git a/src/molecule.h b/src/molecule.h index b6cb9f778d..0bbe684636 100644 --- a/src/molecule.h +++ b/src/molecule.h @@ -167,7 +167,9 @@ class Molecule : protected Pointers { E: Illegal ... command -UNDOCUMENTED +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: Molecule template ID must be alphanumeric or underscore characters @@ -187,27 +189,27 @@ Self-explanatory. E: Molecule file requires atom style body -UNDOCUMENTED +Self-explanatory. -E: No or invalid atom count in molecule file +E: No count or invalid atom count in molecule file -UNDOCUMENTED +The number of atoms must be specified. E: Invalid bond count in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid angle count in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid dihedral count in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid improper count in molecule file -UNDOCUMENTED +Self-explanatory. E: Molecule file has bonds but no nbonds setting @@ -235,7 +237,7 @@ The order of the two sections is important. E: Molecule file has body params but no setting for them -UNDOCUMENTED +Self-explanatory. E: Unknown section in molecule file @@ -255,23 +257,23 @@ All 3 SHAKE sections are needed. E: Molecule file has no Body Integers section -UNDOCUMENTED +Self-explanatory. E: Molecule file has no Body Doubles section -UNDOCUMENTED +Self-explanatory. E: Molecule natoms must be 1 for body particle -UNDOCUMENTED +Self-explanatory. E: Molecule sizescale must be 1.0 for body particle -UNDOCUMENTED +Self-explanatory. E: Invalid Coords section in molecule file -UNDOCUMENTED +Self-explanatory. E: Molecule file z coord must be 0.0 for 2d @@ -279,7 +281,7 @@ Self-explanatory. E: Invalid Types section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom type in molecule file @@ -287,11 +289,11 @@ Atom types must range from 1 to specified # of types. E: Invalid Charges section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid Diameters section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom diameter in molecule file @@ -299,7 +301,7 @@ Diameters must be >= 0.0. E: Invalid Masses section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom mass in molecule file @@ -307,7 +309,7 @@ Masses must be > 0.0. E: Invalid Bonds section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom ID in Bonds section of molecule file @@ -319,7 +321,7 @@ Self-explanatory. E: Invalid Angles section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom ID in Angles section of molecule file @@ -331,7 +333,7 @@ Self-explanatory. E: Invalid Dihedrals section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom ID in dihedrals section of molecule file @@ -343,7 +345,7 @@ Self-explanatory. E: Invalid Impropers section in molecule file -UNDOCUMENTED +Self-explanatory. E: Invalid atom ID in impropers section of molecule file @@ -355,7 +357,7 @@ Self-explanatory. E: Invalid Special Bond Counts section in molecule file -UNDOCUMENTED +Self-explanatory. E: Molecule file special list does not match special count @@ -367,11 +369,7 @@ Self-explanatory. E: Molecule auto special bond generation overflow -UNDOCUMENTED - -E: - -UNDOCUMENTED +Counts exceed maxspecial setting for other atoms in system. E: Invalid shake flag in molecule file @@ -391,11 +389,11 @@ Self-explanatory. E: Too few values in body section of molecule file -UNDOCUMENTED +Self-explanatory. E: Too many values in body section of molecule file -UNDOCUMENTED +Self-explanatory. W: Molecule attributes do not match system attributes @@ -424,12 +422,4 @@ E: Cannot open molecule file %s The specified file cannot be opened. Check that the path and name are correct. -U: No atom count in molecule file - -Self-explanatory. - -U: Molecule file has bonds but no special flags - -Self-explanatory. - */ diff --git a/src/pair.cpp b/src/pair.cpp index 016323ffac..89c5bea380 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -201,9 +201,9 @@ void Pair::init() if (tail_flag && domain->nonperiodic && comm->me == 0) error->warning(FLERR,"Using pair tail corrections with nonperiodic system"); if (!compute_flag && tail_flag) - error->warning(FLERR,"Using pair tail corrections with compute set to no"); + error->warning(FLERR,"Using pair tail corrections with pair_modify compute no"); if (!compute_flag && offset_flag) - error->warning(FLERR,"Using pair potential shift with compute set to no"); + error->warning(FLERR,"Using pair potential shift with pair_modify compute no"); // for manybody potentials // check if bonded exclusions could invalidate the neighbor list diff --git a/src/pair.h b/src/pair.h index 662f58bf10..917dfbc700 100644 --- a/src/pair.h +++ b/src/pair.h @@ -285,13 +285,13 @@ This is probably a bogus thing to do, since tail corrections are computed by integrating the density of a periodic system out to infinity. -W: Using pair tail corrections with compute set to no +W: Using pair tail corrections with pair_modify compute no -UNDOCUMENTED +The tail corrections will thus not be computed. -W: Using pair potential shift with compute set to no +W: Using pair potential shift with pair_modify compute no -UNDOCUMENTED +The shift effects will thus not be computed. W: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index f56ff79663..ced2f6f34a 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -471,8 +471,8 @@ void PairHybrid::init_style() for (i = 1; i < 4; ++i) { if (((force->special_lj[i] == 0.0) || (force->special_lj[i] == 1.0)) && (force->special_lj[i] != special_lj[istyle][i])) - error->all(FLERR,"Pair_modify special setting incompatible with" - " global special_bonds setting"); + error->all(FLERR,"Pair_modify special setting for pair hybrid " + "incompatible with global special_bonds setting"); } } @@ -481,8 +481,8 @@ void PairHybrid::init_style() if (((force->special_coul[i] == 0.0) || (force->special_coul[i] == 1.0)) && (force->special_coul[i] != special_coul[istyle][i])) - error->all(FLERR,"Pair_modify special setting incompatible with" - "global special_bonds setting"); + error->all(FLERR,"Pair_modify special setting for pair hybrid " + "incompatible with global special_bonds setting"); } } } diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index b2cfb14f15..56e0c5a7ae 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -120,11 +120,8 @@ command. E: Pair_modify special setting incompatible with global special_bonds setting -UNDOCUMENTED - -E: Pair_modify special setting incompatible withglobal special_bonds setting - -UNDOCUMENTED +Cannot override a setting of 0.0 or 1.0 or change a setting between +0.0 and 1.0. E: All pair coeffs are not set @@ -144,7 +141,7 @@ that doesn't support it. E: Pair hybrid single calls do not support per sub-style special bond values -UNDOCUMENTED +Self-explanatory. E: Unknown pair_modify hybrid sub-style diff --git a/src/read_data.h b/src/read_data.h index 4317bcdd1a..9402bd18e4 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -126,11 +126,12 @@ command-line option when running LAMMPS to see the offending line. E: Read data add offset is too big -UNDOCUMENTED +It cannot be larger than the size of atom IDs, e.g. the maximum 32-bit +integer. E: Non-zero read_data shift z value for 2d simulation -UNDOCUMENTED +Self-explanatory. E: No bonds allowed with this atom style @@ -159,23 +160,23 @@ run a 2d simulation. E: Cannot read_data without add keyword after simulation box is defined -UNDOCUMENTED +Self-explanatory. E: Cannot use read_data add before simulation box is defined -UNDOCUMENTED +Self-explanatory. E: Cannot use read_data offset without add flag -UNDOCUMENTED +Self-explanatory. E: Cannot use read_data shift without add flag -UNDOCUMENTED +Self-explanatory. E: Cannot use read_data extra with add flag -UNDOCUMENTED +Self-explanatory. W: Atom style in data file differs from currently defined atom style @@ -471,7 +472,8 @@ outside a non-periodic simulation box. E: Subsequent read data induced too many bonds per atom -UNDOCUMENTED +See the create_box extra/bond/per/atom or read_data "extra bond per +atom" header value to set this limit larger. E: Bonds assigned incorrectly @@ -480,7 +482,8 @@ This means there is something invalid about the topology definitions. E: Subsequent read data induced too many angles per atom -UNDOCUMENTED +See the create_box extra/angle/per/atom or read_data "extra angle per +atom" header value to set this limit larger. E: Angles assigned incorrectly @@ -490,7 +493,8 @@ definitions. E: Subsequent read data induced too many dihedrals per atom -UNDOCUMENTED +See the create_box extra/dihedral/per/atom or read_data "extra +dihedral per atom" header value to set this limit larger. E: Dihedrals assigned incorrectly @@ -500,7 +504,8 @@ definitions. E: Subsequent read data induced too many impropers per atom -UNDOCUMENTED +See the create_box extra/improper/per/atom or read_data "extra +improper per atom" header value to set this limit larger. E: Impropers assigned incorrectly @@ -510,11 +515,11 @@ definitions. E: Too few values in body lines in data file -UNDOCUMENTED +Self-explanatory. E: Too many values in body lines in data file -UNDOCUMENTED +Self-explanatory. E: Too many lines in one body in data file - boost MAXBODY @@ -552,17 +557,4 @@ 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: 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 read_data add and merge - -These options are not yet supported. - -U: Cannot use non-zero z offset in read_data for 2d simulation - -The offset option is not yet supported. - */ diff --git a/src/read_restart.h b/src/read_restart.h index 50bbf34937..0c4661cb55 100644 --- a/src/read_restart.h +++ b/src/read_restart.h @@ -174,7 +174,7 @@ Your input script cannot change these restart file settings. E: Illegal or unset periodicity in restart -UNDOCUMENTED +This error should not normally occur unless the restart file is invalid. E: Invalid flag in header section of restart file @@ -222,14 +222,14 @@ contain a recognized byte-orderomg flag at the beginning. E: Illegal size string or corrupt restart -UNDOCUMENTED +This error should not normally occur unless the restart file is invalid. E: Illegal size integer vector read requested -UNDOCUMENTED +This error should not normally occur unless the restart file is invalid. E: Illegal size double vector read requested -UNDOCUMENTED +This error should not normally occur unless the restart file is invalid. */ diff --git a/src/region.h b/src/region.h index 0c4fb28a24..d330a9bf3e 100644 --- a/src/region.h +++ b/src/region.h @@ -102,7 +102,7 @@ Self-explanatory. E: Can only use Kokkos supported regions with Kokkos package -UNDOCUMENTED +Self-explanatory. E: Illegal ... command diff --git a/src/set.h b/src/set.h index e8149d2f92..1be9faef1c 100644 --- a/src/set.h +++ b/src/set.h @@ -100,27 +100,27 @@ Self-explanatory. E: Cannot set meso/e for this atom style -UNDOCUMENTED +Self-explanatory. E: Cannot set meso/cv for this atom style -UNDOCUMENTED +Self-explanatory. E: Cannot set meso/rho for this atom style -UNDOCUMENTED +Self-explanatory. E: Cannot set smd/mass/density for this atom style -UNDOCUMENTED +Self-explanatory. E: Cannot set smd/contact/radius for this atom style -UNDOCUMENTED +Self-explanatory. E: Cannot set dpd/theta for this atom style -UNDOCUMENTED +Self-explanatory. E: Set command integer vector does not exist @@ -168,7 +168,7 @@ Self-explanatory. E: Cannot set quaternion with xy components for 2d system -UNDOCUMENTED +Self-explanatory. E: Cannot set theta for atom that is not a line @@ -211,8 +211,4 @@ E: Variable for set command is invalid style Only atom-style variables can be used. -U: Cannot set meso_rho for this atom style - -Self-explanatory. - */ diff --git a/src/timer.h b/src/timer.h index 3244267b44..ef5306cb2e 100644 --- a/src/timer.h +++ b/src/timer.h @@ -80,6 +80,8 @@ class Timer : protected Pointers { E: Illegal ... command -UNDOCUMENTED +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. */ diff --git a/src/update.h b/src/update.h index 3721bfbed4..bbb29bc7ee 100644 --- a/src/update.h +++ b/src/update.h @@ -101,8 +101,4 @@ Dynamic regions (see the region command) have a time dependence. Thus you cannot change the timestep when one or more of these are defined. -U: Too big a timestep - -Specified timestep is too large. - */ diff --git a/src/variable.h b/src/variable.h index 753604e60c..05ea3f57e9 100644 --- a/src/variable.h +++ b/src/variable.h @@ -152,7 +152,7 @@ number of processor partitions. E: Cannot open temporary file for world counter. -UNDOCUMENTED +Self-explanatory. E: All universe/uloop variables must have same # of values @@ -418,15 +418,15 @@ Only file-style or atomfile-style variables can be used with next(). E: Invalid is_active() function in variable formula -UNDOCUMENTED +Self-explanatory. E: Invalid is_available() function in variable formula -UNDOCUMENTED +Self-explanatory. E: Invalid is_defined() function in variable formula -UNDOCUMENTED +Self-explanatory. E: Indexed per-atom vector in variable formula without atom map