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<META NAME="AUTHOR" CONTENT="Edward Valeev">
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<H3>Valid command-line options</H3>
<OL>
<LI><P><B>--oeints</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute standard one-electron integrals only. Subdirectory
Default_Ints had to be compiled in (it is by default).</P>
<LI><P><B>--teints</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute ERIs only. Subdirectory Default_Ints had to be compiled
in (it is by default).</P>
<LI><P><B>--oeprop</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute one-electron property integrals (overlap, dipole
moment, and integrals over electronic nabla operator) <EM>in AO basis</EM>.
Subdirectory OEProp_Ints had to be compiled in (it if by default).</P>
<LI><P><B>--fock</B> is used by <FONT COLOR="#ff0000">CSCF</FONT> to
cause <FONT COLOR="#ff0000">CINTS</FONT> to form the Fock matrices
directly. Subdirectory HF_Fock and DFT had to be compiled in (it is by
default). Do not use this option to run <FONT COLOR="#ff0000">CINTS</FONT>
standalone, as it will try to read an intermediate file produced by
<FONT COLOR="#ff0000">CSCF</FONT>.</P>
<LI><P><B>--mp2</B> will cause <FONT COLOR="#ff0000">CINTS</FONT> to
compute MP2 energy directly. Subdirectory MP2 had to be compiled in
(it is by default).</P>
<LI><P><B>--deriv1</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute first-order energy derivatives. Subdirectory
Default_Deriv1 had to be compiled in (it is by default).</P>
<LI><P><B>--deriv1_ints</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute symmetry adapted first-order derivative integrals. Subdirectory
Default_Deriv1 had to be compiled in (it is by default).</P>
<LI><P><B>--deriv2</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute second-order energy derivative components and first-order
derivative Fock and overlap matrices for solving first-order CPHF equations.
Subdirectory Default_Deriv2 had to be compiled in (it is by default).</P>
<LI><P><B>--mp2r12</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute non-standard MO integrals necessary to evaluate MP2-R12
energy with program MP2R12. Subdirectory MP2R12 had to be compiled
in (it is NOT by default).</P>
<LI><P ALIGN=LEFT><B>--r12ints</B> will cause <FONT COLOR="#ff0000">CINTS</FONT>
to compute non-standard AO integrals necessary to evaluate MP2-R12
energy. Subdirectories MP2R12 and R12_Ints had to be compiled in
(they are NOT by default).</P>
</OL>
<P ALIGN=LEFT>No command-line options will cause <FONT COLOR="#ff0000">CINTS</FONT>
to evaluate and store standard one- and two-electron integrals. It is
the default and most frequently used mode.</P>
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