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

rename compute local/comp/atom to composition/atom

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-08-23 14:06:44 -04:00
parent 476446d93c
commit 00345ce8c3
8 changed files with 56 additions and 56 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
doc/src/compute.rst
View File

@ -245,7 +245,7 @@ The individual style names on the :doc:`Commands compute <Commands_compute>` pag
* :doc:`ke/atom/eff <compute_ke_atom_eff>` - per-atom translational and radial kinetic energy in the electron force field model
* :doc:`ke/eff <compute_ke_eff>` - kinetic energy of a group of nuclei and electrons in the electron force field model
* :doc:`ke/rigid <compute_ke_rigid>` - translational kinetic energy of rigid bodies
* :doc:`local/comp/atom <compute_local_comp_atom>` - local composition for each atom
* :doc:`composition/atom <compute_composition_atom>` - local composition for each atom
* :doc:`mliap <compute_mliap>` - gradients of energy and forces with respect to model parameters and related quantities for training machine learning interatomic potentials
* :doc:`momentum <compute_momentum>` - translational momentum
* :doc:`msd <compute_msd>` - mean-squared displacement of group of atoms