source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ccacints.qci@ 1ca493a

Candidate_v1.7.0 stable
Last change on this file since 1ca493a was 860145, checked in by Frederik Heber <heber@…>, 9 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'
  • Property mode set to 100644
File size: 313 bytes
Line 
1
2test_basis: cc-pVDZ
3test_method: scf
4test_symmetry: c2v
5test_calc: energy
6test_integral_buffer: opaque array
7test_integral_package: cints
8
9restart: no
10checkpoint: no
11do_cca: yes
12
13label: cca integrals test
14
15molecule:
16 O 0.000000000 0 0.369372944
17 H 0.783975899 0 -0.184686472
18 H -0.783975899 0 -0.184686472
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