Space fixed atoms in steepest and conjugate optimization. #34045

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1677 1136aad2-a195-0410-b898-f5ea1d11b9d8
Space fixed atoms in BFGS and GEDIIS optimization. #34045

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1681 1136aad2-a195-0410-b898-f5ea1d11b9d8
constrain is renamed to constraint. #34045

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1682 1136aad2-a195-0410-b898-f5ea1d11b9d8
Test cases are added for opt with space fixed atoms. #34045

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1683 1136aad2-a195-0410-b898-f5ea1d11b9d8
bug in mpi/AsyncCommunicator.h is fixed. #34049

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1684 1136aad2-a195-0410-b898-f5ea1d11b9d8
Output formats of MPI in SCF and system is refactored. #34050

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1685 1136aad2-a195-0410-b898-f5ea1d11b9d8
OpenMP and MPI conditions are written in output. #34050

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1686 1136aad2-a195-0410-b898-f5ea1d11b9d8
An option to ingore MPI in SCF module is added. #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1687 1136aad2-a195-0410-b898-f5ea1d11b9d8
README of mpi option in SCF is modified. #31814

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1688 1136aad2-a195-0410-b898-f5ea1d11b9d8
Merge trunk into refactor_opt.  #32881

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/refactor_opt@1689 1136aad2-a195-0410-b898-f5ea1d11b9d8