Constructionf fock matrix is MPI-parallelized. #31851

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1461 1136aad2-a195-0410-b898-f5ea1d11b9d8
Tests for HP that is MPI-parallelized are added. #31851

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1462 1136aad2-a195-0410-b898-f5ea1d11b9d8
Cndo2::CalcFockMatrix is more optimized with MPI. #31851

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1463 1136aad2-a195-0410-b898-f5ea1d11b9d8
Make BFGS utility functions accessible. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1464 1136aad2-a195-0410-b898-f5ea1d11b9d8
Factor out BFGS::ApproximateEnergyChange. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1465 1136aad2-a195-0410-b898-f5ea1d11b9d8
Factor out BFGS::UpdateTrustRadius. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1466 1136aad2-a195-0410-b898-f5ea1d11b9d8
Factor out BFGS::RollbackMolecularGeometry. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1467 1136aad2-a195-0410-b898-f5ea1d11b9d8
Factor out BFGS::CalcDisplacement. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1468 1136aad2-a195-0410-b898-f5ea1d11b9d8
Factor out BFGS::Storemoleculargeometry. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1469 1136aad2-a195-0410-b898-f5ea1d11b9d8
Use Blas::Dcopy in BFGS::SearchMinimum. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1470 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring order of header-fiels.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1471 1136aad2-a195-0410-b898-f5ea1d11b9d8
Move OutputLog for Hill climbing. #31856

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1472 1136aad2-a195-0410-b898-f5ea1d11b9d8
Test script accepts test names with directory. #28969

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1473 1136aad2-a195-0410-b898-f5ea1d11b9d8
Asynchronous MPI communication is implemented. #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1474 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring: cashe of real spherical harmonics index to speed up. #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1475 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring: pow is replaced. #31850

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1476 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring: pow is replaced. #31850

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1477 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring: pow is replaced. #31850

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1478 1136aad2-a195-0410-b898-f5ea1d11b9d8
Refactoring: tmpMatrixBC is repeatedly used for multi-call of Dgemmm. #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1479 1136aad2-a195-0410-b898-f5ea1d11b9d8
number of threads are not changed for asynchronous mpi #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1480 1136aad2-a195-0410-b898-f5ea1d11b9d8