optimize Namespace Reference

Classes
struct	VariableSet
	class to handle a set of variables that can be modified during optimizations More...

Enumerations
enum	{   OTHER_P = 0, LOGLINEAR_P, LOGLINEAR_K, LINEAR_P,   SPO_P, BACKFLOW_P }
	An enum useful for determining the type of parameter is being optimized. More...

Functions
	TEST_CASE ("VariableSet empty", "[optimize]")
	TEST_CASE ("VariableSet one", "[optimize]")
	TEST_CASE ("VariableSet output", "[optimize]")
	TEST_CASE ("VariableSet HDF output and input", "[optimize]")

Enumeration Type Documentation

anonymous enum

anonymous enum

An enum useful for determining the type of parameter is being optimized.

knowing this in the opt routine can reduce the computational load.

Enumerator
OTHER_P
LOGLINEAR_P
LOGLINEAR_K
LINEAR_P
SPO_P
BACKFLOW_P

Definition at line 35 of file VariableSet.h.

{
  OTHER_P = 0,
  LOGLINEAR_P, //B-spline Jastrows
  LOGLINEAR_K, //K space Jastrows
  LINEAR_P,    //Multi-determinant coefficients
  SPO_P,       //SPO set Parameters
  BACKFLOW_P   //Backflow parameters
};

Function Documentation

TEST_CASE() [1/4]

optimize::TEST_CASE	(	"VariableSet empty"	,
		""	[optimize]
	)

Definition at line 25 of file test_variable_set.cpp.

References VariableSet::find(), VariableSet::getIndex(), VariableSet::is_optimizable(), VariableSet::NameAndValue, qmcplusplus::REQUIRE(), and VariableSet::size_of_active().

{
  VariableSet vs;

  REQUIRE(vs.is_optimizable() == false);
  REQUIRE(vs.size_of_active() == 0);
  REQUIRE(vs.find("something") == vs.NameAndValue.end());
  REQUIRE(vs.getIndex("something") == -1);
}

TEST_CASE() [2/4]

optimize::TEST_CASE	(	"VariableSet one"	,
		""	[optimize]
	)

Definition at line 35 of file test_variable_set.cpp.

References VariableSet::activate(), qmcplusplus::CHECK(), VariableSet::getIndex(), VariableSet::insert(), VariableSet::is_optimizable(), VariableSet::name(), VariableSet::print(), qmcplusplus::REQUIRE(), and VariableSet::size_of_active().

{
  VariableSet vs;
  VariableSet::real_type first_val(1.123456789);
  vs.insert("first", first_val);
  std::vector<std::string> names{"first"};
  vs.activate(names.begin(), names.end(), true);

  REQUIRE(vs.is_optimizable() == true);
  REQUIRE(vs.size_of_active() == 1);
  REQUIRE(vs.getIndex("first") == 0);
  REQUIRE(vs.name(0) == "first");
  double first_val_real = 1.123456789;
  CHECK(vs[0] == Approx(first_val_real));

  std::ostringstream o;
  vs.print(o, 0, false);
  //std::cout << o.str() << std::endl;
  REQUIRE(o.str() == "first                 1.123457e+00 0 1  ON 0\n");

  std::ostringstream o2;
  vs.print(o2, 1, true);
  //std::cout << o2.str() << std::endl;

  char formatted_output[] = "  Name                        Value Type Recompute Use Index\n"
                            " ----- ---------------------------- ---- --------- --- -----\n"
                            " first                 1.123457e+00    0         1  ON     0\n";


  REQUIRE(o2.str() == formatted_output);
}

TEST_CASE() [3/4]

optimize::TEST_CASE	(	"VariableSet output"	,
		""	[optimize]
	)

Definition at line 67 of file test_variable_set.cpp.

References VariableSet::activate(), VariableSet::insert(), VariableSet::print(), and qmcplusplus::REQUIRE().

{
  VariableSet vs;
  VariableSet::real_type first_val(11234.56789);
  VariableSet::real_type second_val(0.000256789);
  VariableSet::real_type third_val(-1.2);
  vs.insert("s", first_val);
  vs.insert("second", second_val);
  vs.insert("really_long_name", third_val);
  std::vector<std::string> names{"s", "second", "really_long_name"};
  vs.activate(names.begin(), names.end(), true);

  std::ostringstream o;
  vs.print(o, 0, true);
  //std::cout << o.str() << std::endl;

  char formatted_output[] = "            Name                        Value Type Recompute Use Index\n"
                            "---------------- ---------------------------- ---- --------- --- -----\n"
                            "               s                 1.123457e+04    0         1  ON     0\n"
                            "          second                 2.567890e-04    0         1  ON     1\n"
                            "really_long_name                -1.200000e+00    0         1  ON     2\n";

  REQUIRE(o.str() == formatted_output);
}

TEST_CASE() [4/4]

optimize::TEST_CASE	(	"VariableSet HDF output and input"	,
		""	[optimize]
	)

Definition at line 92 of file test_variable_set.cpp.

References qmcplusplus::CHECK(), VariableSet::end(), VariableSet::find(), VariableSet::insert(), VariableSet::readFromHDF(), and VariableSet::writeToHDF().

{
  VariableSet vs;
  VariableSet::real_type first_val(11234.56789);
  VariableSet::real_type second_val(0.000256789);
  VariableSet::real_type third_val(-1.2);
  vs.insert("s", first_val);
  vs.insert("second", second_val);
  vs.insert("really_really_really_long_name", third_val);
  qmcplusplus::hdf_archive hout;
  vs.writeToHDF("vp.h5", hout);

  VariableSet vs2;
  vs2.insert("s", 0.0);
  vs2.insert("second", 0.0);
  qmcplusplus::hdf_archive hin;
  vs2.readFromHDF("vp.h5", hin);
  CHECK(vs2.find("s")->second == Approx(first_val));
  CHECK(vs2.find("second")->second == Approx(second_val));
  // This value as in the file, but not in the VariableSet that loaded the file,
  // so the value does not get added.
  CHECK(vs2.find("really_really_really_long_name") == vs2.end());
}