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Viewing changes to src/tools/ga-5-2/tascel/src/UniformTaskCollectionSplit.h

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Daniel Leidert, Andreas Tille, Michael Banck
  • Date: 2013-07-04 12:14:55 UTC
  • mfrom: (1.1.2)
  • Revision ID: package-import@ubuntu.com-20130704121455-5tvsx2qabor3nrui
Tags: 6.3-1
http://bugs.debian.org/696361
* New upstream release.
* Fixes anisotropic properties (Closes: #696361).
* New features include:
  + Multi-reference coupled cluster (MRCC) approaches
  + Hybrid DFT calculations with short-range HF 
  + New density-functionals including Minnesota (M08, M11) and HSE hybrid
    functionals
  + X-ray absorption spectroscopy (XAS) with TDDFT
  + Analytical gradients for the COSMO solvation model
  + Transition densities from TDDFT 
  + DFT+U and Electron-Transfer (ET) methods for plane wave calculations
  + Exploitation of space group symmetry in plane wave geometry optimizations
  + Local density of states (LDOS) collective variable added to Metadynamics
  + Various new XC functionals added for plane wave calculations, including
    hybrid and range-corrected ones
  + Electric field gradients with relativistic corrections 
  + Nudged Elastic Band optimization method
  + Updated basis sets and ECPs 

[ Daniel Leidert ]
* debian/watch: Fixed.

[ Andreas Tille ]
* debian/upstream: References

[ Michael Banck ]
* debian/upstream (Name): New field.
* debian/patches/02_makefile_flags.patch: Refreshed.
* debian/patches/06_statfs_kfreebsd.patch: Likewise.
* debian/patches/07_ga_target_force_linux.patch: Likewise.
* debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed.
* debian/patches/09_backported_6.1.1_fixes.patch: Likewise.
* debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7.
* debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets
  gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes:
  #701328, #713262).
* debian/testsuite: Added tests for COSMO analytical gradients and MRCC.
* debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.

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src/tools/ga-5-2/tascel/src/UniformTaskCollectionSplit.h
 
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#ifndef __tascel_UniformTaskCollectionSplit_h__
 
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#define __tascel_UniformTaskCollectionSplit_h__
 
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#include "Comm.h"
 
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#include "FuncReg.h"
 
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#include "SplitQueueOpt.h"
 
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#include "TaskCollProps.h"
 
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#include "UniformTaskCollection.h"
 
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namespace tascel {
 
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  /**
 
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   * Implementation of the UniformTaskCollection using a SplitQueue.
 
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   *
 
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   * This is a thin wrapper around the SplitQueue.
 
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   */
 
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  class UniformTaskCollectionSplit : public UniformTaskCollection {
 
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    protected:
 
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      SplitQueueOpt sq; /**< the SplitQueue instance */
 
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    public:
 
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      /**
 
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       * Constructs the UniformTaskCollectionSplit.
 
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       *
 
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       * @copydetails UniformTaskCollection::UniformTaskCollection(const TaskCollProps&)
 
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       */
 
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      UniformTaskCollectionSplit(const TaskCollProps& props);
 
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      /**
 
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       * Destroys the UniformTaskCollectionSplit.
 
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       */
 
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      virtual ~UniformTaskCollectionSplit();
 
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      /**
 
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       * @copybrief   UniformTaskCollection::process()
 
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       * @copydetails UniformTaskCollection::process()
 
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       */
 
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      virtual void process();
 
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      /**
 
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       * @copybrief   UniformTaskCollection::addTask()
 
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       * @copydetails UniformTaskCollection::addTask()
 
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       */
 
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      virtual void addTask(void *data, int dlen);
 
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  }; /*UniformTaskCollectionSplit*/
 
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}; /*tascel*/
 
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#endif /*__tascel_UniformTaskCollectionSplit_h__*/
 
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