Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChangeBugEmailaddress
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
stable
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * GridDownsampler.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Jun 9, 2016
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 |
|
|---|
| 9 | #ifndef GRIDDOWNSAMPLER_HPP_
|
|---|
| 10 | #define GRIDDOWNSAMPLER_HPP_
|
|---|
| 11 |
|
|---|
| 12 | // include config.h
|
|---|
| 13 | #ifdef HAVE_CONFIG_H
|
|---|
| 14 | #include <config.h>
|
|---|
| 15 | #endif
|
|---|
| 16 |
|
|---|
| 17 | #include <map>
|
|---|
| 18 |
|
|---|
| 19 | #include "JobMarket/types.hpp"
|
|---|
| 20 |
|
|---|
| 21 | #include "Fragmentation/Summation/Containers/MPQCData.hpp"
|
|---|
| 22 |
|
|---|
| 23 | class SamplingGridProperties;
|
|---|
| 24 |
|
|---|
| 25 | /** This is a functor that allows easy downsampling of a set of grids contained in
|
|---|
| 26 | * MPQC instances.
|
|---|
| 27 | */
|
|---|
| 28 | struct GridDownsampler
|
|---|
| 29 | {
|
|---|
| 30 | static void downsample(
|
|---|
| 31 | const std::map<JobId_t, MPQCData> &_shortrangedata,
|
|---|
| 32 | const SamplingGridProperties &_domain,
|
|---|
| 33 | std::map<JobId_t, MPQCData> &_shortrangedata_downsampled
|
|---|
| 34 | );
|
|---|
| 35 | };
|
|---|
| 36 |
|
|---|
| 37 |
|
|---|
| 38 | #endif /* GRIDDOWNSAMPLER_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
