Cisax will form 24 ao ss matrices at one time

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WebApr 5, 2024 · CISAX will form 6 AO SS matrices at one time. NMat= 6 NSing= 6 … WebOct 21, 2016 · Do AO 1st derivative terms as well in L906 and L914. 3: ... Compute the … hiheart rain jacket child

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http://bbs.keinsci.com/thread-23356-1-1.html WebMar 27, 2016 · From [email protected] Sun Mar 27 13:45:01 2016 From: "Igors … WebFrozen orbitals handled with amplitudes over full window. Keep R1, R2, and R3 ints in memory in canonical form, NReq=18944835. CISAX will form 24 AO SS matrices at one time. 21 vectors produced by pass 0 Test12= 4.87D-15 4.17D-09 XBig12= 5.13D+00 1.28D+00. AX will form 21 AO Fock derivatives at one time. small towns near worcester ma

Cisax will form 24 ao ss matrices at one time

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WebNov 19, 2004 · CISAX: IP= 1 NPass= 1 NMax= 39. ... CISAX will form 39 AO SS matrices at one time. NMat= 39 NSing= 39. Symmetry not used in FoFDir. ... AX will form 36 AO Fock derivatives at one time. 36 vectors were produced by pass 1. 36 vectors were produced by pass 2. 36 vectors were produced by pass 3. 36 vectors were produced by …

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