/usr/share/psi/samples/mints3/input.dat is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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#! Test individual integral objects for correctness.
print_stdout(' Case Study Test of Integrals')
molecule h2o {
o
h 1 1.0
h 1 1.0 2 103.1
}
set globals {
basis sto-3g
}
mints = MintsHelper()
Li = mints.so_angular_momentum()
set globals {
basis 6-311G**
}
mints = MintsHelper()
Li = mints.so_angular_momentum()
set globals {
basis cc-pVTZ
}
mints = MintsHelper()
Li = mints.so_angular_momentum()
set globals {
basis sto-3g
}
mints = MintsHelper()
Pi = mints.so_nabla()
set globals {
basis 6-311G**
}
mints = MintsHelper()
Pi = mints.so_nabla()
set globals {
basis cc-pVTZ
}
mints = MintsHelper()
Pi = mints.so_nabla()
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