Bug in handling of MolDSException in openMP/MP region is fixed. #32309

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1551 1136aad2-a195-0410-b898-f5ea1d11b9d8
trunk.r1549 is merged to branches/fx10. Bug in handling of MolDSException in openMP/MP region is fixed. #32309 #32094

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1552 1136aad2-a195-0410-b898-f5ea1d11b9d8
branches/fx10 is reverted to r1550 because commit message at r1552 was wrong.  #32309 #32094

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1553 1136aad2-a195-0410-b898-f5ea1d11b9d8
trunk.r1551 is merged to branches/fx10. Bug in handling of MolDSException in openMP/MP region is fixed. #32309 #32094

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1554 1136aad2-a195-0410-b898-f5ea1d11b9d8
Sulphur's paremeters of ZINDO/S in ORCA2.8 is added. But, they are commented out yet. #32319

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1555 1136aad2-a195-0410-b898-f5ea1d11b9d8
mkl_lapacke.h is directly called in wrappers/Lapack.cpp #32235

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1556 1136aad2-a195-0410-b898-f5ea1d11b9d8
MolDS.out is renamed to molds. #32380

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1557 1136aad2-a195-0410-b898-f5ea1d11b9d8
trunk.r1557 is merged to branches/fx10. #32094 #32380

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1558 1136aad2-a195-0410-b898-f5ea1d11b9d8
MolDS.out is renamed to molds. #32380

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1559 1136aad2-a195-0410-b898-f5ea1d11b9d8
schedule(auto) in openMP is changed to dynamical schedule. #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1560 1136aad2-a195-0410-b898-f5ea1d11b9d8
config.h is added to Makefiles. #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1561 1136aad2-a195-0410-b898-f5ea1d11b9d8
trunk.r1561 is merged to branches/fx10. schedule(auto) is removed. #32094 #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1562 1136aad2-a195-0410-b898-f5ea1d11b9d8
config.h is added to Makefile_FX10. #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1563 1136aad2-a195-0410-b898-f5ea1d11b9d8
namespace in config.h is meaningless, so namespace is deleted. #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1564 1136aad2-a195-0410-b898-f5ea1d11b9d8
trunk.r1564 is merged to branches/fx10. #32094 #32381

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1565 1136aad2-a195-0410-b898-f5ea1d11b9d8
bug in wrappers/Lapack.cpp related to mkl is fixed. Indeed mkl can not be used on FX10.  #32094

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/fx10@1566 1136aad2-a195-0410-b898-f5ea1d11b9d8
typo

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1567 1136aad2-a195-0410-b898-f5ea1d11b9d8
README is updated.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1568 1136aad2-a195-0410-b898-f5ea1d11b9d8
EnvironmentalPointCharge-class(EPC) is added. In molecule-class distance matrix for EPC is added. InputParser-class is modified for EPCs. Some methods for two electrons integral is refactored such as rename. README is updated. #32469

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1569 1136aad2-a195-0410-b898-f5ea1d11b9d8
Two electron integral between qm-atom ane epc is implemented. The coulomb interaction between Cores of qm-atom and epc is not implemented yet. Derivatives are alos  not implemented yet. #32469

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1570 1136aad2-a195-0410-b898-f5ea1d11b9d8