Применение неэмпирических и полуэмпирических методов в квантово-химических расчетах. Кобзев Г.И. - 132 стр.

# OF WORDS NEEDED =                  91786 FOR IN MEMORY
TRANSFORMATION

 CHOOSING IN MEMORY PARTIAL TRANSFORMATION...
 TOTAL NUMBER OF TRANSFORMED 2E- INTEGRALS KEPT =                           59
... END OF INTEGRAL TRANSFORMATION ...

CPU    TIME: STEP = 0.06 , TOTAL =     0.4 SECONDS ( 0.0 MIN)
WALL CLOCK TIME: STEP =    0.06 , TOTAL =    0.4 SECONDS ( 0.0
MIN)
CPU UTILIZATION: STEP = 99.18%, TOTAL = 103.94%


RETURN FROM TRFMCX ROUTINE.

      ------------------------
      GUGA-CI INTEGRAL SORTING
      ------------------------

    30072 WORDS NEEDED TO SORT           292 GUGA INTEGRALS IN
MEMORY
  7085746 WORDS ARE AVAILABLE
CHOOSING IN-MEMORY SORTING...
IN CORE ALGORITHM SORTED              21 NON-ZERO 1E- INTEGRALS
IN CORE ALGORITHM SORTED              59 NON-ZERO 2E- INTEGRALS
...... END OF INTEGRAL SORTING ......

CPU    TIME: STEP = 0.01 , TOTAL =     0.4 SECONDS ( 0.0 MIN)
WALL CLOCK TIME: STEP =    0.01 , TOTAL =    0.4 SECONDS ( 0.0
MIN)
CPU UTILIZATION: STEP = 118.65%, TOTAL = 104.24%

------------------------- ---------------------------------------
ENERGY MATRIX CALCULATION WRITTEN BY
B.R.BROOKS,W.D.LAIDIG,P.SAXE
------------------------- ---------------------------------------

COMPUTING THE HAMILTONIAN FOR THE                            105 CSF-S...

     5886 IS THE TOTAL NUMBER OF GENERATED LOOPS
     5886 WERE CREATED BY THE LOOP-DRIVEN ALGORITHM
       0 WERE CREATED IMPLICITLY

     1424 IS THE TOTAL NUMBER OF PROCESSED LOOPS


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