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
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
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
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
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
The coulomb interaction between cores of qm-atoms is refactored to use cache. #32469

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1571 1136aad2-a195-0410-b898-f5ea1d11b9d8
Coulomb interaction between cores and EPCs is implemented. #32469

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1572 1136aad2-a195-0410-b898-f5ea1d11b9d8
Makefiel_GNU is modified for EPC. #32469

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1573 1136aad2-a195-0410-b898-f5ea1d11b9d8
Link to an example for building openblas is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1574 1136aad2-a195-0410-b898-f5ea1d11b9d8
Typo

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1575 1136aad2-a195-0410-b898-f5ea1d11b9d8
README.txt is updated.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1576 1136aad2-a195-0410-b898-f5ea1d11b9d8
pow in constants is refactored. #31850

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1577 1136aad2-a195-0410-b898-f5ea1d11b9d8
Remove debug codes. #31716

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1579 1136aad2-a195-0410-b898-f5ea1d11b9d8
Catch unexpected exception by reference.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1580 1136aad2-a195-0410-b898-f5ea1d11b9d8