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

Merge pull request #3623 from ndtrung81/kokkos-dipole-lj-expand

Browse Source 
Adding the kokkos variants for lj/cut/dipole/cut and lj/expand/coul/long
This commit is contained in:
Axel Kohlmeyer
2023-02-03 13:52:47 -05:00
committed by GitHub
parent 7fbb6095c6 e28ff8a8aa
commit a0a7e76cc3
22 changed files with 2278 additions and 74 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
doc/src/Commands_pair.rst
View File

@ -166,7 +166,7 @@ OPT.
* :doc:`lj/cut/coul/msm (go) <pair_lj_cut_coul>`
* :doc:`lj/cut/coul/msm/dielectric <pair_dielectric>`
* :doc:`lj/cut/coul/wolf (o) <pair_lj_cut_coul>`
* :doc:`lj/cut/dipole/cut (go) <pair_dipole>`
* :doc:`lj/cut/dipole/cut (gko) <pair_dipole>`
* :doc:`lj/cut/dipole/long (g) <pair_dipole>`
* :doc:`lj/cut/dipole/sf (go) <pair_dipole>`
* :doc:`lj/cut/soft (o) <pair_fep_soft>`
@ -175,7 +175,7 @@ OPT.
* :doc:`lj/cut/tip4p/long (got) <pair_lj_cut_tip4p>`
* :doc:`lj/cut/tip4p/long/soft (o) <pair_fep_soft>`
* :doc:`lj/expand (gko) <pair_lj_expand>`
* :doc:`lj/expand/coul/long (g) <pair_lj_expand>`
* :doc:`lj/expand/coul/long (gk) <pair_lj_expand>`
* :doc:`lj/gromacs (gko) <pair_gromacs>`
* :doc:`lj/gromacs/coul/gromacs (ko) <pair_gromacs>`
* :doc:`lj/long/coul/long (iot) <pair_lj_long>`

3
doc/src/pair_dipole.rst
View File

@ -1,5 +1,6 @@
.. index:: pair_style lj/cut/dipole/cut
.. index:: pair_style lj/cut/dipole/cut/gpu
.. index:: pair_style lj/cut/dipole/cut/kk
.. index:: pair_style lj/cut/dipole/cut/omp
.. index:: pair_style lj/sf/dipole/sf
.. index:: pair_style lj/sf/dipole/sf/gpu
@ -11,7 +12,7 @@
pair_style lj/cut/dipole/cut command
====================================
Accelerator Variants: *lj/cut/dipole/cut/gpu*, *lj/cut/dipole/cut/omp*
Accelerator Variants: *lj/cut/dipole/cut/gpu*, *lj/cut/dipole/cut/kk*, *lj/cut/dipole/cut/omp*
pair_style lj/sf/dipole/sf command
==================================

3
doc/src/pair_lj_expand.rst
View File

@ -3,6 +3,7 @@
.. index:: pair_style lj/expand/kk
.. index:: pair_style lj/expand/omp
.. index:: pair_style lj/expand/coul/long
.. index:: pair_style lj/expand/coul/long/kk
.. index:: pair_style lj/expand/coul/long/gpu
pair_style lj/expand command
@ -13,7 +14,7 @@ Accelerator Variants: *lj/expand/gpu*, *lj/expand/kk*, *lj/expand/omp*
pair_style lj/expand/coul/long command
======================================
Accelerator Variants: *lj/expand/coul/long/gpu*
Accelerator Variants: *lj/expand/coul/long/gpu*, *lj/expand/coul/long/kk*
Syntax
""""""