From 2d15071c9f42f36fe97b62b09ee89fa283d05d35 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Sebastian=20H=C3=BCtter?= Date: Fri, 27 Mar 2020 23:22:17 +0100 Subject: [PATCH] Update Errors_messages.rst --- doc/src/Errors_messages.rst | 20 ++++++++++++++++---- 1 file changed, 16 insertions(+), 4 deletions(-) diff --git a/doc/src/Errors_messages.rst b/doc/src/Errors_messages.rst index 6970cb4a9a..7f2b88d1fc 100644 --- a/doc/src/Errors_messages.rst +++ b/doc/src/Errors_messages.rst @@ -2783,7 +2783,7 @@ Doc page with :doc:`WARNING messages ` if this helps. *Did not find all elements in MEAM library file* - The requested elements were not found in the MEAM file. + Some requested elements were not found in the MEAM file. Check spelling etc. *Did not find fix shake partner info* Could not find bond partners implied by fix shake command. This error @@ -3135,6 +3135,9 @@ Doc page with :doc:`WARNING messages ` *Epsilon or sigma reference not set by pair style in ewald/n* The pair style is not providing the needed epsilon or sigma values. +*Error in MEAM parameter file: keyword %s (further information)* + Self-explanatory. Check the parameter file. + *Error in vdw spline: inner radius > outer radius* A pre-tabulated spline is invalid. Likely a problem with the potential parameters. @@ -4611,7 +4614,7 @@ Doc page with :doc:`WARNING messages ` *Incorrect format in COMB3 potential file* Incorrect number of words per line in the potential file. -*Incorrect format in MEAM potential file* +*Incorrect format in MEAM library file* Incorrect number of words per line in the potential file. *Incorrect format in SNAP coefficient file* @@ -5669,6 +5672,9 @@ Doc page with :doc:`WARNING messages ` A fix is referenced incorrectly or a fix that produces per-atom values is used in an equal-style variable formula. +*Mismatched parameter in MEAM library file: z!=lat* + The coordination number and lattice do not match, check that consistent values are given. + *Mismatched variable in variable formula* A variable is referenced incorrectly or an atom-style variable that produces per-atom values is used in an equal-style variable @@ -7764,6 +7770,9 @@ keyword to allow for additional bonds to be formed *Too many atoms to dump sort* Cannot sort when running with more than 2\^31 atoms. +*Too many elements extracted from MEAM library.* + Increase 'maxelt' in meam.h and recompile. + *Too many exponent bits for lookup table* Table size specified via pair_modify command does not work with your machine's floating point representation. @@ -7997,11 +8006,11 @@ keyword to allow for additional bonds to be formed *Unknown unit_style* Self-explanatory. Check the input script or data file. -*Unrecognized lattice type in MEAM file 1* +*Unrecognized lattice type in MEAM library file* The lattice type in an entry of the MEAM library file is not valid. -*Unrecognized lattice type in MEAM file 2* +*Unrecognized lattice type in MEAM parameter file* The lattice type in an entry of the MEAM parameter file is not valid. @@ -8017,6 +8026,9 @@ keyword to allow for additional bonds to be formed *Unsupported order in kspace_style pppm/disp, pair_style %s* Only pair styles with 1/r and 1/r\^6 dependence are currently supported. +*Unsupported parameter in MEAM library file* + Self-explanatory. + *Use cutoff keyword to set cutoff in single mode* Mode is single so cutoff/multi keyword cannot be used.