Changeset 0eb774e for src/bin/mpqc/MPQCJob.h

Timestamp:

Jul 25, 2012, 6:21:36 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Children:

737c47

Parents:

6bf68b

Message:

MPQCJob and MPQCData now contain information how to sample the density.

File:

• src/bin/mpqc/MPQCJob.h (modified) (4 diffs)

src/bin/mpqc/MPQCJob.h

@@ -27 +27 @@
 {
 public:
-  MPQCJob(const JobId_t _JobId, const std::string &_inputfile) :
+  MPQCJob(
+      const JobId_t _JobId,
+      const std::string &_inputfile,
+      const double _begin[3],
+      const double _size,
+      const int _level) :
     FragmentJob(_JobId),
-    inputfile(_inputfile)
+    inputfile(_inputfile),
+    size(0.),
+    level(0)
   {}
   virtual ~MPQCJob() {}
@@ -38 +45 @@
   //!> contents of the input file
   const std::string inputfile;
+  //!> offset of grid
+  double begin[3];
+  //!> size of grid, i.e. edge length of cubic(!) domain
+  const double size;
+  //!> level, i.e. \f$2^{\text{level}}\f$ grid points per axis
+  const int level;
 
 private:
@@ -43 +56 @@
    */
   MPQCJob() :
-    FragmentJob(JobId::IllegalJob)
+    FragmentJob(JobId::IllegalJob),
+    size(0.),
+    level(0)
   {}
 
@@ -53 +68 @@
     ar & boost::serialization::base_object<FragmentJob>(*this);
     ar & const_cast<std::string &>(inputfile);
+    int i;
+    for (i=0; i<3; ++i)
+      ar & begin[i];
+    ar & const_cast<double &>(size);
+    ar & const_cast<int &>(level);
   }
 };