rename package USER-REACTION

2020-01-09 20:07:41 -07:00 · 2020-01-09 20:07:41 -07:00 · c3922c7e35
parent a36acf5547
commit c3922c7e35
53 changed files with 3 additions and 3 deletions
--- a/doc/src/fix_bond_react.rst
+++ b/doc/src/fix_bond_react.rst
@ -60,7 +60,7 @@ Syntax
 Examples
 """"""""

-For unabridged example scripts and files, see examples/USER/react.
+For unabridged example scripts and files, see examples/USER/reaction.


 .. parsed-literal::
@ -149,7 +149,7 @@ constant-topology parts of your system separately. The dynamic group
 contains only atoms not involved in a reaction at a given timestep,
 and therefore should be used by a subsequent system-wide time
 integrator such as nvt, npt, or nve, as shown in the second example
-above (full examples can be found at examples/USER/react). The time
+above (full examples can be found at examples/USER/reaction). The time
 integration command should be placed after the fix bond/react command
 due to the internal dynamic grouping performed by fix bond/react.

@ -513,7 +513,7 @@ Restrictions
 """"""""""""


-This fix is part of the USER-REACT package.  It is only enabled if
+This fix is part of the USER-REACTION package.  It is only enabled if
 LAMMPS was built with that package.  See the
 :doc:`Build package <Build_package>` doc page for more info.

--- a/examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt
+++ b/examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt
--- a/examples/USER/reaction/nylon,6-6_melt/log.20Apr18.large_nylon_melt.g++.1
+++ b/examples/USER/reaction/nylon,6-6_melt/log.20Apr18.large_nylon_melt.g++.1
--- a/examples/USER/reaction/nylon,6-6_melt/log.20Apr18.large_nylon_melt.g++.4
+++ b/examples/USER/reaction/nylon,6-6_melt/log.20Apr18.large_nylon_melt.g++.4
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_map
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_map
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_reacted.data_template
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_reacted.data_template
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.data_template
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.data_template
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_map
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_map
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_reacted.data_template
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_reacted.data_template
--- a/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.data_template
+++ b/examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.data_template
--- a/examples/USER/reaction/tiny_epoxy/in.tiny_epoxy.stabilized
+++ b/examples/USER/reaction/tiny_epoxy/in.tiny_epoxy.stabilized
--- a/examples/USER/reaction/tiny_epoxy/log.20Nov19.tiny_epoxy.stabilized.g++.1
+++ b/examples/USER/reaction/tiny_epoxy/log.20Nov19.tiny_epoxy.stabilized.g++.1
--- a/examples/USER/reaction/tiny_epoxy/log.20Nov19.tiny_epoxy.stabilized.g++.4
+++ b/examples/USER/reaction/tiny_epoxy/log.20Nov19.tiny_epoxy.stabilized.g++.4
--- a/examples/USER/reaction/tiny_epoxy/rxn1_stp1.map
+++ b/examples/USER/reaction/tiny_epoxy/rxn1_stp1.map
--- a/examples/USER/reaction/tiny_epoxy/rxn1_stp1_post.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn1_stp1_post.data_template
--- a/examples/USER/reaction/tiny_epoxy/rxn1_stp1_pre.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn1_stp1_pre.data_template
--- a/examples/USER/reaction/tiny_epoxy/rxn1_stp2.map
+++ b/examples/USER/reaction/tiny_epoxy/rxn1_stp2.map
--- a/examples/USER/reaction/tiny_epoxy/rxn1_stp2_post.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn1_stp2_post.data_template
--- a/examples/USER/reaction/tiny_epoxy/rxn2_stp1.map
+++ b/examples/USER/reaction/tiny_epoxy/rxn2_stp1.map
--- a/examples/USER/reaction/tiny_epoxy/rxn2_stp1_post.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn2_stp1_post.data_template
--- a/examples/USER/reaction/tiny_epoxy/rxn2_stp1_pre.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn2_stp1_pre.data_template
--- a/examples/USER/reaction/tiny_epoxy/rxn2_stp2.map
+++ b/examples/USER/reaction/tiny_epoxy/rxn2_stp2.map
--- a/examples/USER/reaction/tiny_epoxy/rxn2_stp2_post.data_template
+++ b/examples/USER/reaction/tiny_epoxy/rxn2_stp2_post.data_template
--- a/examples/USER/reaction/tiny_epoxy/tiny_epoxy.data
+++ b/examples/USER/reaction/tiny_epoxy/tiny_epoxy.data
--- a/examples/USER/reaction/tiny_nylon/in.tiny_nylon.stabilized
+++ b/examples/USER/reaction/tiny_nylon/in.tiny_nylon.stabilized
--- a/examples/USER/reaction/tiny_nylon/in.tiny_nylon.unstabilized
+++ b/examples/USER/reaction/tiny_nylon/in.tiny_nylon.unstabilized
--- a/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.stabilized.g++.1
+++ b/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.stabilized.g++.1
--- a/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.stabilized.g++.4
+++ b/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.stabilized.g++.4
--- a/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.unstabilized.g++.1
+++ b/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.unstabilized.g++.1
--- a/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.unstabilized.g++.4
+++ b/examples/USER/reaction/tiny_nylon/log.5Jun19.tiny_nylon.unstabilized.g++.4
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp1_map
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp1_map
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp1_reacted.data_template
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp1_reacted.data_template
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp1_unreacted.data_template
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp1_unreacted.data_template
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp2_map
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp2_map
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp2_reacted.data_template
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp2_reacted.data_template
--- a/examples/USER/reaction/tiny_nylon/rxn1_stp2_unreacted.data_template
+++ b/examples/USER/reaction/tiny_nylon/rxn1_stp2_unreacted.data_template
--- a/examples/USER/reaction/tiny_nylon/tiny_nylon.data
+++ b/examples/USER/reaction/tiny_nylon/tiny_nylon.data
--- a/examples/USER/reaction/tiny_polystyrene/2styrene_map
+++ b/examples/USER/reaction/tiny_polystyrene/2styrene_map
--- a/examples/USER/reaction/tiny_polystyrene/2styrene_reacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/2styrene_reacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/2styrene_unreacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/2styrene_unreacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/chain_chain_map
+++ b/examples/USER/reaction/tiny_polystyrene/chain_chain_map
--- a/examples/USER/reaction/tiny_polystyrene/chain_chain_reacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/chain_chain_reacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/chain_chain_unreacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/chain_chain_unreacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_map
+++ b/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_map
--- a/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_reacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_reacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.data_template
+++ b/examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.data_template
--- a/examples/USER/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
+++ b/examples/USER/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
--- a/examples/USER/reaction/tiny_polystyrene/log.20Nov19.tiny_polystyrene.stabilized.g++.1
+++ b/examples/USER/reaction/tiny_polystyrene/log.20Nov19.tiny_polystyrene.stabilized.g++.1
--- a/examples/USER/reaction/tiny_polystyrene/log.20Nov19.tiny_polystyrene.stabilized.g++.4
+++ b/examples/USER/reaction/tiny_polystyrene/log.20Nov19.tiny_polystyrene.stabilized.g++.4
--- a/examples/USER/reaction/tiny_polystyrene/tiny_polystyrene.data
+++ b/examples/USER/reaction/tiny_polystyrene/tiny_polystyrene.data
--- a/src/USER-REACTION/README
+++ b/src/USER-REACTION/README
--- a/src/USER-REACTION/fix_bond_react.cpp
+++ b/src/USER-REACTION/fix_bond_react.cpp
--- a/src/USER-REACTION/fix_bond_react.h
+++ b/src/USER-REACTION/fix_bond_react.h