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&GLOBAL
PROJECT test_shg_integrals_ab
PRINT_LEVEL MEDIUM
PROGRAM_NAME TEST
RUN_TYPE NONE
&END GLOBAL
&TEST
&SHG_INTEGRALS_TEST
ABC 10.0 10.0 10.0
NAB_MIN 8
NREP 2
CHECK_ACCURACY
CALCULATE_DERIVATIVES
TEST_OVERLAP
TEST_COULOMB
TEST_VERF
TEST_VERFC
TEST_VGAUSS
TEST_GAUSS
TEST_RA2M
M 3
&BASIS
10
2 0 0 1 1
22.956000679816 1.0
2 0 1 1 1 1
11.437045132575 1.0 1.0
2 0 2 1 1 1 1
5.698118029748 1.0 1.0 1.0
2 0 2 1 1 1 1
2.838893149810 1.0 1.0 1.0
2 0 3 1 1 1 1 1
1.414381779030 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
0.704667527549 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
0.351076584656 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
0.174911945670 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
0.087143916955 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
0.043416487268 1.0 1.0 1.0 1.0
&END
&BASIS
15
2 0 0 1 1
24.031909411024 1.0
2 0 0 1 1
16.167926705922 1.0
2 0 1 1 1 1
10.877281929506 1.0 1.0
2 0 1 1 1 1
7.317899463920 1.0 1.0
2 0 2 1 1 1 1
4.923256831173 1.0 1.0 1.0
2 0 3 1 1 1 1 1
3.312215198528 1.0 1.0 1.0 1.0
2 0 3 1 1 1 1 1
2.228356126354 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
1.499169204968 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
1.008594756710 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.678551413605 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.456508441910 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.307124785767 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.206624073890 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.139010297734 1.0 1.0 1.0 1.0 1.0
2 0 4 1 1 1 1 1 1
0.093521836600 1.0 1.0 1.0 1.0 1.0
&END
&END SHG_INTEGRALS_TEST
&END TEST
|
