diff --git a/src/GPU/pair_buck_coul_cut_gpu.h b/src/GPU/pair_buck_coul_cut_gpu.h index fbbe3676a0..a92860d888 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.h +++ b/src/GPU/pair_buck_coul_cut_gpu.h @@ -55,8 +55,8 @@ E: Cannot use newton pair with buck/coul/cut/gpu pair style UNDOCUMENTED -E: Pair style buck/coul/cut/gpu requires atom attribute q +U: Pair style buck/coul/cut/gpu requires atom attribute q The atom style defined does not have this attribute. -*/ \ No newline at end of file +*/ diff --git a/src/GPU/pair_buck_coul_long_gpu.h b/src/GPU/pair_buck_coul_long_gpu.h index 179a6b078b..ae39314398 100644 --- a/src/GPU/pair_buck_coul_long_gpu.h +++ b/src/GPU/pair_buck_coul_long_gpu.h @@ -51,12 +51,16 @@ E: Out of memory on GPGPU UNDOCUMENTED -E: Cannot use newton pair with buck/coul/long/gpu pair style - -UNDOCUMENTED - E: Pair style buck/coul/long/gpu requires atom attribute q The atom style defined does not have this attribute. -*/ \ No newline at end of file +E: Cannot use newton pair with buck/coul/long/gpu pair style + +UNDOCUMENTED + +E: Pair style is incompatible with KSpace style + +UNDOCUMENTED + +*/ diff --git a/src/GPU/pair_buck_gpu.h b/src/GPU/pair_buck_gpu.h index 2c74660448..cef24eeccc 100644 --- a/src/GPU/pair_buck_gpu.h +++ b/src/GPU/pair_buck_gpu.h @@ -55,4 +55,4 @@ E: Cannot use newton pair with buck/gpu pair style UNDOCUMENTED -*/ \ No newline at end of file +*/ diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h index 1606d81a93..ffa2af76aa 100644 --- a/src/GPU/pair_eam_alloy_gpu.h +++ b/src/GPU/pair_eam_alloy_gpu.h @@ -39,3 +39,23 @@ public: #endif #endif + +/* ERROR/WARNING messages: + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +E: No matching element in EAM potential file + +UNDOCUMENTED + +E: Cannot open EAM potential file %s + +UNDOCUMENTED + +E: Incorrect element names in EAM potential file + +UNDOCUMENTED + +*/ diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h index cef88fa18b..c46226bcbf 100644 --- a/src/GPU/pair_eam_fs_gpu.h +++ b/src/GPU/pair_eam_fs_gpu.h @@ -39,3 +39,23 @@ public: #endif #endif + +/* ERROR/WARNING messages: + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +E: No matching element in EAM potential file + +UNDOCUMENTED + +E: Cannot open EAM potential file %s + +UNDOCUMENTED + +E: Incorrect element names in EAM potential file + +UNDOCUMENTED + +*/ diff --git a/src/GPU/pair_eam_gpu.h b/src/GPU/pair_eam_gpu.h index 4ed40c3e19..3415f97914 100644 --- a/src/GPU/pair_eam_gpu.h +++ b/src/GPU/pair_eam_gpu.h @@ -66,4 +66,4 @@ E: Not allocate memory eam/gpu pair style UNDOCUMENTED -*/ \ No newline at end of file +*/ diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.h b/src/GPU/pair_lj_sdk_coul_long_gpu.h index 26d8b37475..2e5d928fb6 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.h +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.h @@ -47,3 +47,22 @@ class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong { #endif #endif +/* ERROR/WARNING messages: + +E: Out of memory on GPGPU + +UNDOCUMENTED + +E: Pair style lj/sdk/coul/long/gpu requires atom attribute q + +UNDOCUMENTED + +E: Cannot use newton pair with lj/sdk/coul/long/gpu pair style + +UNDOCUMENTED + +E: Pair style is incompatible with KSpace style + +UNDOCUMENTED + +*/ diff --git a/src/GPU/pair_lj_sdk_gpu.h b/src/GPU/pair_lj_sdk_gpu.h index 364724dd76..34df1dd146 100644 --- a/src/GPU/pair_lj_sdk_gpu.h +++ b/src/GPU/pair_lj_sdk_gpu.h @@ -46,3 +46,15 @@ class PairLJSDKGPU : public PairLJSDK { } #endif #endif + +/* ERROR/WARNING messages: + +E: Out of memory on GPGPU + +UNDOCUMENTED + +E: Cannot use newton pair with lj/sdk/gpu pair style + +UNDOCUMENTED + +*/ diff --git a/src/GPU/pair_table_gpu.h b/src/GPU/pair_table_gpu.h index dd393b447d..efe0edbb3d 100644 --- a/src/GPU/pair_table_gpu.h +++ b/src/GPU/pair_table_gpu.h @@ -55,8 +55,12 @@ E: Cannot use newton pair with table/gpu pair style UNDOCUMENTED +E: Pair distance < table inner cutoff + +UNDOCUMENTED + E: Pair distance > table outer cutoff Two atoms are further apart than the pairwise table allows. -*/ \ No newline at end of file +*/ diff --git a/src/GPU/pair_yukawa_gpu.h b/src/GPU/pair_yukawa_gpu.h index deaa179393..d6f04fc2b7 100644 --- a/src/GPU/pair_yukawa_gpu.h +++ b/src/GPU/pair_yukawa_gpu.h @@ -55,4 +55,4 @@ E: Cannot use newton pair with yukawa/gpu pair style UNDOCUMENTED -*/ \ No newline at end of file +*/ diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index 01452ab7fd..aac9ad9beb 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -112,3 +112,39 @@ class PairKIM : public Pair { #endif #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +E: Pair style pair_KIM requires newton pair Off + +UNDOCUMENTED + +E: All pair coeffs are not set + +UNDOCUMENTED + +E: KIM neighbor iterator exceeded range + +UNDOCUMENTED + +E: KIM_DIR environement variable is unset + +UNDOCUMENTED + +E: PWD environement variable is unset + +UNDOCUMENTED + +E: KIM initialization failed + +UNDOCUMENTED + +*/ diff --git a/src/balance.h b/src/balance.h index 7474fd349f..c85a4b65c8 100644 --- a/src/balance.h +++ b/src/balance.h @@ -69,3 +69,35 @@ class Balance : protected Pointers { #endif #endif + +/* ERROR/WARNING messages: + +E: Balance command before simulation box is defined + +UNDOCUMENTED + +E: Illegal ... command + +UNDOCUMENTED + +E: Cannot balance in z dimension for 2d simulation + +UNDOCUMENTED + +E: Balance dynamic string is invalid + +UNDOCUMENTED + +E: Balance dynamic string is invalid for 2d simulation + +UNDOCUMENTED + +E: Lost atoms via balance: original %ld current %ld + +UNDOCUMENTED + +E: Cannot open balance output file + +UNDOCUMENTED + +*/ diff --git a/src/change_box.h b/src/change_box.h index 9b2eac97ae..ea5ae8993a 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -59,9 +59,9 @@ class ChangeBox : protected Pointers { /* ERROR/WARNING messages: -E: Displace_box command before simulation box is defined +E: Change_box command before simulation box is defined -Self-explanatory. +UNDOCUMENTED E: Illegal ... command @@ -69,40 +69,92 @@ 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 displace_box after reading restart file with per-atom info +E: Cannot change_box after reading restart file with per-atom info + +UNDOCUMENTED + +E: Could not find change_box group ID + +UNDOCUMENTED + +E: Cannot change_box in z dimension for 2d simulation + +UNDOCUMENTED + +E: Change_box volume used incorrectly + +UNDOCUMENTED + +E: Cannot change_box in xz or yz for 2d simulation + +UNDOCUMENTED + +E: Use of change_box with undefined lattice + +UNDOCUMENTED + +E: Cannot change box tilt factors for orthogonal box + +UNDOCUMENTED + +E: Cannot run 2d simulation with nonperiodic Z dimension + +UNDOCUMENTED + +E: Cannot change box to orthogonal when tilt is non-zero + +UNDOCUMENTED + +E: Cannot change box ortho/triclinic with dumps defined + +UNDOCUMENTED + +E: Cannot change box ortho/triclinic with certain fixes defined + +UNDOCUMENTED + +W: Lost atoms via change_box: original %ld current %ld + +UNDOCUMENTED + +U: Displace_box command before simulation box is defined + +Self-explanatory. + +U: Cannot displace_box after reading restart file with per-atom info This is because the restart file info cannot be migrated with the atoms. You can get around this by performing a 0-timestep run which will assign the restart file info to actual atoms. -E: Could not find displace_box group ID +U: Could not find displace_box group ID Group ID used in the displace_box command does not exist. -E: Displace_box tilt factors require triclinic box +U: Displace_box tilt factors require triclinic box Cannot use tilt factors unless the simulation box is non-orthogonal. -E: Cannot displace_box on a non-periodic boundary +U: Cannot displace_box on a non-periodic boundary Self-explanatory. -E: Use of displace_box with undefined lattice +U: Use of displace_box with undefined lattice Must use lattice command with displace_box command if units option is set to lattice. -E: Fix deform volume setting is invalid +U: Fix deform volume setting is invalid Cannot use volume style unless other dimensions are being controlled. -E: Induced tilt by displace_box is too large +U: Induced tilt by displace_box is too large The final tilt value must be between -1/2 and 1/2 of the perpendicular box length. -E: Lost atoms via displace_box: original %ld current %ld +U: Lost atoms via displace_box: original %ld current %ld UNDOCUMENTED diff --git a/src/comm.h b/src/comm.h index b920d1f5fd..82ba6a063f 100644 --- a/src/comm.h +++ b/src/comm.h @@ -155,6 +155,10 @@ E: Invalid cutoff in communicate command Specified cutoff must be >= 0.0. +E: Specified processors != physical processors + +UNDOCUMENTED + E: Cannot use processors part command without using partitions UNDOCUMENTED diff --git a/src/domain.h b/src/domain.h index d21119cffb..6a34a33456 100644 --- a/src/domain.h +++ b/src/domain.h @@ -137,11 +137,6 @@ E: Cannot skew triclinic box in z for 2d simulation Self-explanatory. -E: Triclinic box must be periodic in skewed dimensions - -This is a requirement for using a non-orthogonal box. E.g. to set a -non-zero xy tilt, both x and y must be periodic dimensions. - E: Triclinic box skew is too large The displacement in a skewed direction must be less than half the box @@ -175,4 +170,9 @@ E: Both sides of boundary must be periodic Cannot specify a boundary as periodic only on the lo or hi side. Must be periodic on both sides. +U: Triclinic box must be periodic in skewed dimensions + +This is a requirement for using a non-orthogonal box. E.g. to set a +non-zero xy tilt, both x and y must be periodic dimensions. + */ diff --git a/src/dump_image.h b/src/dump_image.h index b523d560ae..23d122a0ff 100644 --- a/src/dump_image.h +++ b/src/dump_image.h @@ -165,26 +165,10 @@ E: Invalid dump image persp value UNDOCUMENTED -E: Invalid dump image up vector - -UNDOCUMENTED - -E: Invalid dump image color range - -UNDOCUMENTED - E: Invalid color in dump_modify command UNDOCUMENTED -E: Illega dump_modify command - -UNDOCUMENTED - -E: Invalid color map in dump_modify command - -UNDOCUMENTED - E: Dump modify bcolor not allowed with no bond types UNDOCUMENTED @@ -193,4 +177,20 @@ E: Dump modify bdiam not allowed with no bond types UNDOCUMENTED +U: Invalid dump image up vector + +UNDOCUMENTED + +U: Invalid dump image color range + +UNDOCUMENTED + +U: Illega dump_modify command + +UNDOCUMENTED + +U: Invalid color map in dump_modify command + +UNDOCUMENTED + */ diff --git a/src/fix_deform.h b/src/fix_deform.h index b024f0d098..0fe59ef890 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -86,16 +86,13 @@ E: Fix deform tilt factors require triclinic box Cannot deform the tilt factors of a simulation box unless it is a triclinic (non-orthogonal) box. -E: Cannot use fix deform on a non-periodic boundary +E: Cannot use fix deform on a shrink-wrapped boundary -When specifying a change is a box dimension, the dimension must be -periodic. +UNDOCUMENTED -E: Cannot use fix deform on a 2nd non-periodic boundary +E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim -When specifying a tilt factor change, the 2nd of the two dimensions -must be periodic. E.g. if the xy tilt is specified, then the y -dimension must be periodic. +UNDOCUMENTED E: Use of fix deform with undefined lattice @@ -109,6 +106,14 @@ E: More than one fix deform Only one fix deform can be defined at a time. +E: Variable name for fix deform does not exist + +UNDOCUMENTED + +E: Variable for fix deform is invalid style + +UNDOCUMENTED + E: Final box dimension due to fix deform is < 0.0 Self-explanatory. @@ -117,7 +122,26 @@ E: Cannot use fix deform trate on a box with zero tilt The trate style alters the current strain. -E: Fix deform is changing yz by too much with changing xy +E: Fix deform cannot use yz variable with xy + +UNDOCUMENTED + +E: Fix deform is changing yz too much with xy + +UNDOCUMENTED + +U: Cannot use fix deform on a non-periodic boundary + +When specifying a change is a box dimension, the dimension must be +periodic. + +U: Cannot use fix deform on a 2nd non-periodic boundary + +When specifying a tilt factor change, the 2nd of the two dimensions +must be periodic. E.g. if the xy tilt is specified, then the y +dimension must be periodic. + +U: Fix deform is changing yz by too much with changing 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 diff --git a/src/image.h b/src/image.h index 82026e2fa0..7116294e1b 100644 --- a/src/image.h +++ b/src/image.h @@ -151,3 +151,15 @@ class Image : protected Pointers { } #endif + +/* ERROR/WARNING messages: + +E: Invalid image up vector + +UNDOCUMENTED + +E: Invalid image color range + +UNDOCUMENTED + +*/ diff --git a/src/neigh_derive.h b/src/neigh_derive.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_derive.h +++ b/src/neigh_derive.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_full.h b/src/neigh_full.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_full.h +++ b/src/neigh_full.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_gran.h b/src/neigh_gran.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_gran.h +++ b/src/neigh_gran.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_half_bin.h b/src/neigh_half_bin.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_half_bin.h +++ b/src/neigh_half_bin.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_half_multi.h b/src/neigh_half_multi.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_half_multi.h +++ b/src/neigh_half_multi.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_half_nsq.h b/src/neigh_half_nsq.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_half_nsq.h +++ b/src/neigh_half_nsq.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/neigh_respa.h b/src/neigh_respa.h index bcc9497925..06d220eb40 100644 --- a/src/neigh_respa.h +++ b/src/neigh_respa.h @@ -13,7 +13,11 @@ /* ERROR/WARNING messages: -E: Neighbor list overflow, boost neigh_modify one or page +E: Neighbor list overflow, boost neigh_modify one + +UNDOCUMENTED + +U: Neighbor list overflow, boost neigh_modify one or page There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of diff --git a/src/pair_beck.h b/src/pair_beck.h index 4a4147b067..989b1a996e 100644 --- a/src/pair_beck.h +++ b/src/pair_beck.h @@ -51,3 +51,19 @@ class PairBeck : public Pair { #endif #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +E: All pair coeffs are not set + +UNDOCUMENTED + +*/ diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 1a25ea1f6b..ad1356ec60 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -79,11 +79,6 @@ 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: Pair style hybrid cannot use same pair style twice - -The sub-style arguments of pair_style hybrid cannot be duplicated. -Check the input script. - E: Pair style hybrid cannot have hybrid as an argument Self-explanatory. @@ -126,4 +121,9 @@ E: Coulomb cutoffs of pair hybrid sub-styles do not match If using a Kspace solver, all Coulomb cutoffs of long pair styles must be the same. +U: Pair style hybrid cannot use same pair style twice + +The sub-style arguments of pair_style hybrid cannot be duplicated. +Check the input script. + */ diff --git a/src/pair_lj_smooth_linear.h b/src/pair_lj_smooth_linear.h index 6c30cc6af2..c45ca10d77 100644 --- a/src/pair_lj_smooth_linear.h +++ b/src/pair_lj_smooth_linear.h @@ -52,3 +52,15 @@ class PairLJSmoothLinear : public Pair { #endif #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +E: Incorrect args for pair coefficients + +UNDOCUMENTED + +*/ diff --git a/src/thermo.h b/src/thermo.h index bf045b4a29..c1a07ab0bf 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -207,9 +207,9 @@ E: Thermo and fix not computed at compatible times Fixes generate values on specific timesteps. The thermo output does not match these timesteps. -E: Could not find thermo custom variable name +E: Could not find thermo variable name -Self-explanatory. +UNDOCUMENTED E: Too many total atoms @@ -318,6 +318,10 @@ E: Thermo fix array is accessed out-of-range Self-explanatory. +E: Could not find thermo custom variable name + +Self-explanatory. + E: Thermo custom variable is not equal-style variable Only equal-style variables can be output with thermodynamics, not