quantum_package/src/MOs/mos.ezfio_config

mo_basis
  mo_tot_num         integer
  mo_coef            double precision  (ao_basis_ao_num,mo_basis_mo_tot_num)
  mo_label           character*(64)
  mo_occ             double precision  (mo_basis_mo_tot_num)
  ao_md5             character*(32)
Added MOs and bitmasks 2014-04-03 01:50:22 +02:00			`mo_basis`
			`mo_tot_num integer`
			`mo_coef double precision (ao_basis_ao_num,mo_basis_mo_tot_num)`
			`mo_label character*(64)`
DIIS on the way... 2014-06-19 17:58:45 +02:00			`mo_occ double precision (mo_basis_mo_tot_num)`
Added MD5 key in AOs for check in MOs 2014-12-25 23:53:29 +01:00			`ao_md5 character*(32)`
Added MOs and bitmasks 2014-04-03 01:50:22 +02:00