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small fixes

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This commit is contained in:
Axel Kohlmeyer
2022-12-17 16:11:06 -05:00
parent b70f4c8fa8
commit 00f8d2b96d
4 changed files with 8 additions and 6 deletions
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4
doc/src/Commands_pair.rst
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@ -93,8 +93,8 @@ OPT.
* :doc:`coul/wolf/cs <pair_cs>`
* :doc:`dpd (giko) <pair_dpd>`
* :doc:`dpd/fdt <pair_dpd_fdt>`
* :doc:`dpd/ext (k) <pair_dpd_ext>`
* :doc:`dpd/ext/tstat (k) <pair_dpd_ext>`
* :doc:`dpd/ext (ko) <pair_dpd_ext>`
* :doc:`dpd/ext/tstat (ko) <pair_dpd_ext>`
* :doc:`dpd/fdt/energy (k) <pair_dpd_fdt>`
* :doc:`dpd/tstat (gko) <pair_dpd>`
* :doc:`dsmc <pair_dsmc>`

6
doc/src/pair_dpd_ext.rst
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@ -1,17 +1,19 @@
.. index:: pair_style dpd/ext
.. index:: pair_style dpd/ext/kk
.. index:: pair_style dpd/ext/omp
.. index:: pair_style dpd/ext/tstat
.. index:: pair_style dpd/ext/tstat/kk
.. index:: pair_style dpd/ext/tstat/omp
pair_style dpd/ext command
==========================
Accelerator Variants: dpd/ext/kk
Accelerator Variants: dpd/ext/kk dpd/ext/omp
pair_style dpd/ext/tstat command
================================
Accelerator Variants: dpd/ext/tstat/kk
Accelerator Variants: dpd/ext/tstat/kk dpd/ext/tstat/omp
Syntax
""""""

2
src/OPENMP/pair_dpd_ext_omp.cpp
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@ -190,7 +190,7 @@ void PairDPDExtOMP::eval(int iifrom, int iito, ThrData * const thr)
P[2][0] = P[0][2];
P[2][1] = P[1][2];
P[2][2] = 1.0 - delz*delz*rinv*rinv;
wd = 1.0 - r/cut[itype][jtype];
wdPar = pow(wd,ws[itype][jtype]);
wdPerp = pow(wd,wsT[itype][jtype]);

2
src/OPENMP/pair_dpd_ext_tstat_omp.cpp
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@ -203,7 +203,7 @@ void PairDPDExtTstatOMP::eval(int iifrom, int iito, ThrData * const thr)
P[2][0] = P[0][2];
P[2][1] = P[1][2];
P[2][2] = 1.0 - delz*delz*rinv*rinv;
wd = 1.0 - r/cut[itype][jtype];
wdPar = pow(wd,ws[itype][jtype]);
wdPerp = pow(wd,wsT[itype][jtype]);