Commit 7c3f619e authored by julient31's avatar julient31
Browse files

Commit JT 042519 

- moved examples/SPIN/gneb/interpolate/ toward
tools/spin/interpolate/gneb
- added gneb in the command files in doc/src
- modified the error messages in neb_spin.h/cpp
parent b8ae4669

doc/src/Commands_all.txt

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@@ -83,6 +83,7 @@ An alphabetic list of all general LAMMPS commands. 
"molecule"_molecule.html,

"ndx2group"_group2ndx.html,

"neb"_neb.html,

"neb_spin"_neb_spin.html,

"neigh_modify"_neigh_modify.html,

"neighbor"_neighbor.html,

"newton"_newton.html,

doc/src/Commands_category.txt

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@@ -116,6 +116,7 @@ Actions: 


"minimize"_minimize.html,

"neb"_neb.html,

"neb_spin"_neb_spin.html,

"prd"_prd.html,

"rerun"_rerun.html,

"run"_run.html,

doc/src/Commands_fix.txt

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@@ -107,6 +107,7 @@ OPT. 
"mvv/edpd"_fix_mvv_dpd.html,

"mvv/tdpd"_fix_mvv_dpd.html,

"neb"_fix_neb.html,

"neb_spin"_fix_neb_spin.html,

"nph (ko)"_fix_nh.html,

"nph/asphere (o)"_fix_nph_asphere.html,

"nph/body"_fix_nph_body.html,

doc/src/Howto_replica.txt

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@@ -17,6 +17,7 @@ periodically. 
These are the relevant commands:



"neb"_neb.html for nudged elastic band calculations

"neb_spin"_neb_spin.html for magnetic nudged elastic band calculations

"prd"_prd.html for parallel replica dynamics

"tad"_tad.html for temperature accelerated dynamics

"temper"_temper.html for parallel tempering

doc/src/Packages_details.txt

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@@ -918,6 +918,7 @@ src/SPIN: filenames -> commands 
"fix nve/spin"_fix_nve_spin.html

"fix precession/spin"_fix_precession_spin.html

"compute spin"_compute_spin.html

"neb/spin"_neb_spin.html

examples/SPIN :ul



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