diff --git a/doc/src/Errors_messages.rst b/doc/src/Errors_messages.rst index 2140719253..071d6d02ce 100644 --- a/doc/src/Errors_messages.rst +++ b/doc/src/Errors_messages.rst @@ -1903,10 +1903,10 @@ Doc page with :doc:`WARNING messages ` *Compute %s does not allow use of dynamic group* Dynamic groups have not yet been enabled for this compute. -*Compute ID for compute chunk /atom does not exist* +*Compute for fix pafi does not calculate a local array* Self-explanatory. -*Compute ID for compute chunk/atom does not exist* +*Compute for fix pafi has < 3*DIM fields per atom* Self-explanatory. *Compute gyration ID does not exist for compute gyration/shape* @@ -1915,6 +1915,12 @@ Doc page with :doc:`WARNING messages ` *Compute gyration/shape compute ID does not point to a gyration compute* Self-explanatory. Provide and ID of a compute gyration command. +*Compute ID for compute chunk /atom does not exist* + Self-explanatory. + +*Compute ID for compute chunk/atom does not exist* + Self-explanatory. + *Compute ID for compute reduce does not exist* Self-explanatory. @@ -1939,6 +1945,9 @@ Doc page with :doc:`WARNING messages ` *Compute ID for fix numdiff does not exist* Self-explanatory. +*Compute ID for fix pafi does not exist* + Self-explanatory. + *Compute ID for fix store/state does not exist* Self-explanatory. @@ -2114,6 +2123,8 @@ Doc page with :doc:`WARNING messages ` *Compute hexorder/atom requires a pair style be defined* Self-explanatory. + + *Compute improper/local used when impropers are not allowed* The atom style does not support impropers. @@ -3870,6 +3881,9 @@ Doc page with :doc:`WARNING messages ` error occurs, it is likely a bug, so send an email to the `developers `_. +*Fix pafi requires a damped dynamics minimizer* + Use a different minimization style. + *Fix peri neigh does not exist* Somehow a fix that the pair style defines has been deleted. @@ -7163,6 +7177,9 @@ keyword to allow for additional bonds to be formed *Region ID for fix heat does not exist* Self-explanatory. +*Region ID for fix pafi does not exist* + Self-explanatory. + *Region ID for fix setforce does not exist* Self-explanatory. diff --git a/examples/USER/misc/pafi/.gitignore b/examples/USER/misc/pafi/.gitignore index c99c7cc6eb..65a28d0cec 100644 --- a/examples/USER/misc/pafi/.gitignore +++ b/examples/USER/misc/pafi/.gitignore @@ -1,4 +1,2 @@ -couple/* *.dat lmp* -py* diff --git a/src/USER-MISC/fix_pafi.h b/src/USER-MISC/fix_pafi.h index c312729794..ade34a187d 100644 --- a/src/USER-MISC/fix_pafi.h +++ b/src/USER-MISC/fix_pafi.h @@ -74,7 +74,7 @@ class FixPAFI : public Fix { /* ERROR/WARNING messages: -E: Illegal fix pafi command +E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a @@ -96,8 +96,8 @@ E: Compute for fix pafi has < 3*DIM fields per atom Self-explanatory. -E: fix pafi requires a damped dynamics minimizer +E: Fix pafi requires a damped dynamics minimizer -Self-explanatory. +Use a different minimization style. */