ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update/correct docs

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-05-31 08:59:36 -04:00
parent 4540427e2b
commit 8602ecd57f
1 changed files with 14 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
doc/src/variable.rst
View File

@ -532,7 +532,7 @@ variables.
+--------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Region functions | count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), torque(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) |
+--------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label) |
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label), is_typelabel(kind,label) |
+--------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Feature functions | is_available(category,feature), is_active(category,feature), is_defined(category,id) |
+--------------------+------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
@ -996,13 +996,19 @@ via the link in this paragraph.
The label2type(kind,label) function converts type labels into numeric
types, using label maps created by the :doc:`labelmap <labelmap>` or
:doc:`read_data <read_data>` commands. The first argument is the
label map kind (atom, bond, angle, dihedral, or improper) and the
second argument is the label. The function returns the corresponding
numeric type. The is_typelabel(kind,label) function has the same
arguments, but returns 1 if the type label has been assigned, otherwise
it returns 0. This function can be used to check if a particular type
label already exists in the simulation.
:doc:`read_data <read_data>` commands. The first argument is the label
map kind (atom, bond, angle, dihedral, or improper) and the second
argument is the label. The function returns the corresponding numeric
type or -1 in case the specified label for the given kind of type does
not exist.
.. versionadded:: TBD
The is_typelabel(kind,label) function has the same arguments as
label2type(), but returns 1 if the type label has been assigned,
otherwise it returns 0. This function can be used to check if a
particular type label already exists in the simulation. It is
equivalent to `(label2type(kind,label)!=-1)`.
----------