Loading src/KSPACE/fix_tune_kspace.h +2 −6 Original line number Diff line number Diff line /* ---------------------------------------------------------------------- ndoc/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Loading Loading @@ -95,7 +95,7 @@ command-line option when running LAMMPS to see the offending line. E: Cannot use fix tune/kspace without a kspace style UNDOCUMENTED Self-explanatory. E: Cannot use fix tune/kspace without a pair style Loading @@ -106,8 +106,4 @@ E: Bad real space Coulomb cutoff in fix tune/kspace Fix tune/kspace tried to find the optimal real space Coulomb cutoff using the Newton-Rhaphson method, but found a non-positive or NaN cutoff U: Cannot use fix tune/kspace without kspace This fix (tune/kspace) can only be used when a kspace style has been specified. */ src/MANYBODY/pair_comb3.h +5 −0 Original line number Diff line number Diff line Loading @@ -333,6 +333,11 @@ E: Error in vdw spline: inner radius > outter radius UNDOCUMENTED U: Pair style COMB requires atom IDs This is a requirement to use the AIREBO potential. Loading src/REPLICA/neb.h +3 −7 Original line number Diff line number Diff line Loading @@ -110,15 +110,15 @@ The cummulative timesteps must fit in a 64-bit integer. E: Unexpected end of neb file UNDOCUMENTED A read operation from the file failed. E: Incorrect atom format in neb file UNDOCUMENTED The number of fields per line is not what expected. E: Invalid atom IDs in neb file UNDOCUMENTED An ID in the file was not found in the system. E: Cannot open gzipped file Loading @@ -131,8 +131,4 @@ 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: Incorrect format in NEB coordinate file Self-explanatory. */ src/RIGID/fix_rigid.h +1 −1 Original line number Diff line number Diff line Loading @@ -250,7 +250,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid file The ID does not match the number or an existing ID of rigid bodies The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid command. E: Cannot open fix rigid restart file %s Loading src/RIGID/fix_rigid_small.h +1 −1 Original line number Diff line number Diff line Loading @@ -280,7 +280,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid/small file The ID does not match the number or an existing ID of rigid bodies The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid/small command. E: Cannot open fix rigid restart file %s Loading Loading
src/KSPACE/fix_tune_kspace.h +2 −6 Original line number Diff line number Diff line /* ---------------------------------------------------------------------- ndoc/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Loading Loading @@ -95,7 +95,7 @@ command-line option when running LAMMPS to see the offending line. E: Cannot use fix tune/kspace without a kspace style UNDOCUMENTED Self-explanatory. E: Cannot use fix tune/kspace without a pair style Loading @@ -106,8 +106,4 @@ E: Bad real space Coulomb cutoff in fix tune/kspace Fix tune/kspace tried to find the optimal real space Coulomb cutoff using the Newton-Rhaphson method, but found a non-positive or NaN cutoff U: Cannot use fix tune/kspace without kspace This fix (tune/kspace) can only be used when a kspace style has been specified. */
src/MANYBODY/pair_comb3.h +5 −0 Original line number Diff line number Diff line Loading @@ -333,6 +333,11 @@ E: Error in vdw spline: inner radius > outter radius UNDOCUMENTED U: Pair style COMB requires atom IDs This is a requirement to use the AIREBO potential. Loading
src/REPLICA/neb.h +3 −7 Original line number Diff line number Diff line Loading @@ -110,15 +110,15 @@ The cummulative timesteps must fit in a 64-bit integer. E: Unexpected end of neb file UNDOCUMENTED A read operation from the file failed. E: Incorrect atom format in neb file UNDOCUMENTED The number of fields per line is not what expected. E: Invalid atom IDs in neb file UNDOCUMENTED An ID in the file was not found in the system. E: Cannot open gzipped file Loading @@ -131,8 +131,4 @@ 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: Incorrect format in NEB coordinate file Self-explanatory. */
src/RIGID/fix_rigid.h +1 −1 Original line number Diff line number Diff line Loading @@ -250,7 +250,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid file The ID does not match the number or an existing ID of rigid bodies The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid command. E: Cannot open fix rigid restart file %s Loading
src/RIGID/fix_rigid_small.h +1 −1 Original line number Diff line number Diff line Loading @@ -280,7 +280,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid/small file The ID does not match the number or an existing ID of rigid bodies The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid/small command. E: Cannot open fix rigid restart file %s Loading
