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Bugs, Errors

On DEC and SGI (irix64) platforms, a failure could occur due to wrong data types in some calling sequences (only in parallel versions).

An error abort 'SPHERE TOO LARGE' could happen due to numerical round-off problems.

'ILLEGAL DET. MATGEN' error abort fixed.

'MARKER ERROR' at the end of the SCF procedure, more precisely in module COREPS, could happen for molecules with large basis sets.

Date_and_time on HP was not activated correctly, leading to 'TODAY' and 'NOW', rather than correct date and time information in the logfile.

Due to numerical noise, diagonalizations and vector set orthonormalizations could yield inexact results, in some cases detected by the program as a fatal error.

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