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

update list of supported pair styles and parameters

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-12-06 13:53:45 -05:00
parent 9edf553332
commit 884af7e88c
2 changed files with 19 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
doc/src/fix_adapt.rst
View File

@ -221,7 +221,7 @@ formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`table <pair_table>` | table_cutoff | type pairs |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`ufm <pair_ufm>` | epsilon,sigma | type pairs |
| :doc:`ufm <pair_ufm>` | epsilon,sigma,scale | type pairs |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`wf/cut <pair_wf_cut>` | epsilon,sigma,nu,mu | type pairs |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+

20
doc/src/fix_adapt_fep.rst
View File

@ -123,19 +123,29 @@ styles and their energy formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`born <pair_born>` | a,b,c | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`born/gauss <pair_born_gauss>` | biga0,biga1,r0 | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`buck, buck/coul/cut, buck/coul/long, buck/coul/msm <pair_buck>` | a,c | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`buck/mdf <pair_mdf>` | a,c | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/cut <pair_coul>` | scale | type pairs |
| :doc:`coul/cut, coul/cut/global <pair_coul>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/cut/soft <pair_fep_soft>` | lambda | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/debye <pair_coul>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/long, coul/msm <pair_coul>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/long/soft <pair_fep_soft>` | scale, lambda | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`eam <pair_eam>` | scale | type pairs |
| :doc:`coul/slater/long <pair_coul_slater>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`coul/streitz <pair_coul>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`eam, eam/alloy, eam/fs <pair_eam>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`harmonic/cut <pair_harmonic_cut>` | k | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`gauss <pair_gauss>` | a | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
@ -163,6 +173,8 @@ styles and their energy formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`lj/sf/dipole/sf <pair_dipole>` | epsilon,sigma,scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`meam <pair_meam>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`mie/cut <pair_mie>` | epsilon,sigma,gamR,gamA | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`morse, morse/smooth/linear <pair_morse>` | d0,r0,alpha | type pairs |
@ -173,12 +185,16 @@ styles and their energy formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`nm/cut/coul/cut, nm/cut/coul/long <pair_nm>` | e0,r0,nn,mm | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`pace, pace/extrapolation <pair_pace>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`snap <pair_snap>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`soft <pair_soft>` | a | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`ufm <pair_ufm>` | epsilon,sigma,scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`wf/cut <pair_wf_cut>` | epsilon,sigma,nu,mu | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
.. note::