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make ewald/disp/dipole an alias for ewald/disp for more obvious choices for users

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This commit is contained in:
Axel Kohlmeyer
2021-08-21 15:53:52 -04:00
parent 2afa00ae66
commit 3083e6f4cb
3 changed files with 10 additions and 2 deletions
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1
doc/src/Commands_kspace.rst
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@ -24,6 +24,7 @@ OPT.
* :doc:`ewald (o) <kspace_style>`
* :doc:`ewald/disp <kspace_style>`
* :doc:`ewald/disp/dipole <kspace_style>`
* :doc:`ewald/dipole <kspace_style>`
* :doc:`ewald/dipole/spin <kspace_style>`
* :doc:`msm (o) <kspace_style>`

10
doc/src/kspace_style.rst
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@ -2,6 +2,7 @@
.. index:: kspace_style ewald/dipole
.. index:: kspace_style ewald/dipole/spin
.. index:: kspace_style ewald/disp
.. index:: kspace_style ewald/disp/dipole
.. index:: kspace_style ewald/omp
.. index:: kspace_style pppm
.. index:: kspace_style pppm/kk
@ -39,7 +40,7 @@ Syntax
kspace_style style value
* style = *none* or *ewald* or *ewald/dipole* or *ewald/dipole/spin* or *ewald/disp* or *ewald/omp* or *pppm* or *pppm/cg* or *pppm/disp* or *pppm/tip4p* or *pppm/stagger* or *pppm/disp/tip4p* or *pppm/gpu* or *pppm/intel* or *pppm/disp/intel* or *pppm/kk* or *pppm/omp* or *pppm/cg/omp* or *pppm/disp/tip4p/omp* or *pppm/tip4p/omp* or *pppm/dielectic* or *pppm/disp/dielectric* or *msm* or *msm/cg* or *msm/omp* or *msm/cg/omp* or *msm/dielectric* or *scafacos*
* style = *none* or *ewald* or *ewald/dipole* or *ewald/dipole/spin* or *ewald/disp* or *ewald/disp/dipole* or *ewald/omp* or *pppm* or *pppm/cg* or *pppm/disp* or *pppm/tip4p* or *pppm/stagger* or *pppm/disp/tip4p* or *pppm/gpu* or *pppm/intel* or *pppm/disp/intel* or *pppm/kk* or *pppm/omp* or *pppm/cg/omp* or *pppm/disp/tip4p/omp* or *pppm/tip4p/omp* or *pppm/dielectic* or *pppm/disp/dielectric* or *msm* or *msm/cg* or *msm/omp* or *msm/cg/omp* or *msm/dielectric* or *scafacos*
.. parsed-literal::
@ -52,6 +53,8 @@ Syntax
accuracy = desired relative error in forces
*ewald/disp* value = accuracy
accuracy = desired relative error in forces
*ewald/disp/dipole* value = accuracy
accuracy = desired relative error in forces
*ewald/omp* value = accuracy
accuracy = desired relative error in forces
*pppm* value = accuracy
@ -156,6 +159,8 @@ matching keyword to the name of the KSpace style, as in this table:
+----------------------+-----------------------+
| tip4p/long | tip4p |
+----------------------+-----------------------+
| dipole/long | dipole |
+----------------------+-----------------------+
----------
@ -168,7 +173,8 @@ The *ewald/disp* style adds a long-range dispersion sum option for
but in a more efficient manner than the *ewald* style. The :math:`1/r^6`
capability means that Lennard-Jones or Buckingham potentials can be
used without a cutoff, i.e. they become full long-range potentials.
The *ewald/disp* style can also be used with point-dipoles, see
The *ewald/disp/dipole* style can also be used with point-dipoles, see
:ref:`(Toukmaji) <Toukmaji>`.
The *ewald/dipole* style adds long-range standard Ewald summations

1
src/KSPACE/ewald_disp.h
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@ -14,6 +14,7 @@
#ifdef KSPACE_CLASS
// clang-format off
KSpaceStyle(ewald/disp,EwaldDisp);
KSpaceStyle(ewald/disp/dipole,EwaldDisp);
// clang-format on
#else