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add and correct kspace style entries

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This commit is contained in:
Axel Kohlmeyer
2020-01-11 19:43:00 -05:00
parent 7ea366b3ce
commit 019c70140f
2 changed files with 23 additions and 14 deletions
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10
doc/src/Commands_kspace.rst
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@ -24,12 +24,16 @@ OPT.
* :doc:`ewald (o) <kspace_style>`
* :doc:`ewald/disp <kspace_style>`
* :doc:`ewald/dipole <kspace_style>`
* :doc:`ewald/dipole/spin <kspace_style>`
* :doc:`msm (o) <kspace_style>`
* :doc:`msm/cg (o) <kspace_style>`
* :doc:`pppm (gok) <kspace_style>`
* :doc:`pppm (giko) <kspace_style>`
* :doc:`pppm/cg (o) <kspace_style>`
* :doc:`pppm/disp (i) <kspace_style>`
* :doc:`pppm/disp/tip4p <kspace_style>`
* :doc:`pppm/dipole <kspace_style>`
* :doc:`pppm/dipole/spin <kspace_style>`
* :doc:`pppm/disp (io) <kspace_style>`
* :doc:`pppm/disp/tip4p (o) <kspace_style>`
* :doc:`pppm/stagger <kspace_style>`
* :doc:`pppm/tip4p (o) <kspace_style>`
* :doc:`scafacos <kspace_style>`

27
doc/src/kspace_style.rst
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@ -11,26 +11,30 @@ Syntax
kspace_style style value
* style = *none* or *ewald* 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/kk* or *pppm/omp* or *pppm/cg/omp* or *pppm/tip4p/omp* or *msm* or *msm/cg* or *msm/omp* or *msm/cg/omp* or *scafacos*
* 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 *msm* or *msm/cg* or *msm/omp* or *msm/cg/omp* or *scafacos*
.. parsed-literal::
*none* value = none
*ewald* value = accuracy
accuracy = desired relative error in forces
*ewald/disp* value = accuracy
accuracy = desired relative error in forces
*ewald/omp* value = accuracy
accuracy = desired relative error in forces
*ewald/dipole* value = accuracy
accuracy = desired relative error in forces
*ewald/dipole/spin* value = accuracy
accuracy = desired relative error in forces
*ewald/disp* value = accuracy
accuracy = desired relative error in forces
*ewald/omp* value = accuracy
accuracy = desired relative error in forces
*pppm* value = accuracy
accuracy = desired relative error in forces
*pppm/cg* values = accuracy (smallq)
accuracy = desired relative error in forces
smallq = cutoff for charges to be considered (optional) (charge units)
*pppm/dipole* value = accuracy
accuracy = desired relative error in forces
*pppm/dipole/spin* value = accuracy
accuracy = desired relative error in forces
*pppm/disp* value = accuracy
accuracy = desired relative error in forces
*pppm/tip4p* value = accuracy
@ -41,22 +45,23 @@ Syntax
accuracy = desired relative error in forces
*pppm/intel* value = accuracy
accuracy = desired relative error in forces
*pppm/disp/intel* value = accuracy
accuracy = desired relative error in forces
*pppm/kk* value = accuracy
accuracy = desired relative error in forces
*pppm/omp* value = accuracy
accuracy = desired relative error in forces
*pppm/cg/omp* value = accuracy
*pppm/cg/omp* values = accuracy (smallq)
accuracy = desired relative error in forces
*pppm/disp/intel* value = accuracy
smallq = cutoff for charges to be considered (optional) (charge units)
*pppm/disp/omp* value = accuracy
accuracy = desired relative error in forces
*pppm/tip4p/omp* value = accuracy
accuracy = desired relative error in forces
*pppm/disp/tip4p/omp* value = accuracy
accuracy = desired relative error in forces
*pppm/stagger* value = accuracy
accuracy = desired relative error in forces
*pppm/dipole* value = accuracy
accuracy = desired relative error in forces
*pppm/dipole/spin* value = accuracy
accuracy = desired relative error in forces
*msm* value = accuracy
accuracy = desired relative error in forces
*msm/cg* value = accuracy (smallq)