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Corrected errors

2.1.0.1 Dimension of matrices used for the Gauss-Hermite integration. Variable NDGAUS, which defines dimensions of matrices used for the Gauss-Hermite integration, was incorrectly linked to the maximum allowed number of the oscillator quanta, NDOSCI, and not to the maximum allowed numbers of the Gauss-Hermite nodes NDXHRM, NDYHRM, and NDZHRM. This could have caused problems for calculations that would use large number of nodes for small Harmonic Oscillator (HO) bases. This error was innocuous for the 'optimum' numbers of nodes, see Sec. II-3.5, and for any numbers of nodes smaller than optimum. Since using more nodes than optimum cannot increase precision of calculations, see Sec. I-4.3, there was no obvious motivation for the user to run the code in the mode that would have made the error harmful.

2.1.0.2 Closing of the record file. The record file, see Sec. II-3.9, was closed only after a given data set was completed, and not after each call to the RECORD subroutine. As a result, on some systems the record files left on the disc after a system crash, or when the run was killed, were unusable.


next up previous
Next: Breaking of all the Up: Modifications introduced in version Previous: Modifications introduced in version
Jacek Dobaczewski 2004-01-06