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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/
H A Dherbas.F121 ANO = .FALSE.
150 ANO = .TRUE.
332 ANO = .TRUE.
336 ANO = .TRUE.
340 ANO = .TRUE.
344 ANO = .TRUE.
378 WRITE(LUPRI,*) 'ANO =',ANO
424 IF (ANO .OR. SADLEJ) THEN
541 IF (ANO) WRITE(LUPRI,'(/A/A)')
729 LOGICAL ANO, SADLEJ, POLFUN, UNCONT
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-rel/
H A Dh2o-2.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-1.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-5.inp55 BASIS_SET DZ-ANO
59 BASIS_SET DZ-ANO
H A Dh2o-4.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-3.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-rel/
H A Dh2o-1.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-2.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-4.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
H A Dh2o-5.inp55 BASIS_SET DZ-ANO
59 BASIS_SET DZ-ANO
H A Dh2o-3.inp50 BASIS_SET DZ-ANO
54 BASIS_SET DZ-ANO
/dports/science/mpqc/mpqc-2.3.1/lib/basis/
H A Dnasa_ames_ano.kv1 %BASIS "NASA Ames ANO" SPHERICAL
9 hydrogen: "NASA Ames ANO": [
46 boron: "NASA Ames ANO": [
98 carbon: "NASA Ames ANO": [
150 nitrogen: "NASA Ames ANO": [
202 oxygen: "NASA Ames ANO": [
254 fluorine: "NASA Ames ANO": [
306 neon: "NASA Ames ANO": [
358 aluminum: "NASA Ames ANO": [
562 iron: "NASA Ames ANO": [
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/dports/science/gabedit/GabeditSrc251_300720/utils/MPQC/
H A DmpqcBasis43 H NASA#Ames#ANO
194 B NASA#Ames#ANO
244 C NASA#Ames#ANO
294 N NASA#Ames#ANO
344 O NASA#Ames#ANO
394 F NASA#Ames#ANO
442 Ne NASA#Ames#ANO
523 Al NASA#Ames#ANO
593 P NASA#Ames#ANO
723 Ti NASA#Ames#ANO
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/dports/science/py-pyscf/pyscf-2.0.1/doc_legacy/source/
H A Dbenchmark.rst19 .. Basis cc-pVTZ ANO-Roos-TZ
44 Basis 6-31G** cc-pVTZ ANO-Roos-TZ
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D2ano_817.sdf3 Coordinates from PDB:2ANO:A:400 Model:1 without hydrogens
85 2ANO
/dports/editors/yudit/yudit-3.0.7/mytool/kmap/
H A DGreekMonotonic.kmap20 // The Greek ANO TELEIA (0x0387), follows again the kikbd conventions as well
50 "Q=0x003A", // COLON [GREEK EPEXIGIMATIKA OR ANO & KATO TELEIA - DEFINITION MISSING FROM UNICODE]
52 ";.=0x0387", // GREEK ANO TELEIA
53 "W=0x0387", // GREEK ANO TELEIA
152 // ";.=0x0387", // GREEK ANO TELEIA {ALTERNATIVE INPUT}
208 ";.=0x0387", // GREEK ANO TELEIA (KDE/kikbd/Xinput standard)
209 "W=0x0387", // GREEK ANO TELEIA (Emacs standard)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries.bse/
H A Dano-rcc-mb3 # ANO-RCC-MB version number 1
4 # Description: ANO-RCC-MB
36 # ANO-RCC-MB basis (truncated form of ANO-RCC)
40 # ANO-RCC-MB basis (truncated form of ANO-RCC)
44 # ANO-RCC-MB basis (truncated form of ANO-RCC)
48 # ANO-RCC-MB basis (truncated form of ANO-RCC)
52 # ANO-RCC-MB basis (truncated form of ANO-RCC)
56 # ANO-RCC-MB basis (truncated form of ANO-RCC)
80 # New Relativistic ANO Basis Sets for Transition Metal Atoms
87 # New relativistic ANO basis sets for actinide atoms
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H A Dano-rcc-vdz3 # ANO-RCC-VDZ version number 1
4 # Description: ANO-RCC-VDZ
36 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
40 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
44 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
48 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
52 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
56 # ANO-RCC-VDZ basis (truncated form of ANO-RCC)
80 # New Relativistic ANO Basis Sets for Transition Metal Atoms
87 # New relativistic ANO basis sets for actinide atoms
[all …]
H A Dano-rcc-vdzp3 # ANO-RCC-VDZP version number 1
4 # Description: ANO-RCC-VDZP
36 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
40 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
44 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
48 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
52 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
56 # ANO-RCC-VDZP basis (truncated form of ANO-RCC)
80 # New Relativistic ANO Basis Sets for Transition Metal Atoms
87 # New relativistic ANO basis sets for actinide atoms
[all …]
/dports/science/ergo/ergo-3.8/basis/
H A DMakefile.am29 Almlof-Taylor-ANO \
95 NASA-Ames-ANO \
/dports/mail/panda-imap/panda-imap-7905901/src/imapd/
H A DMakefile32 ANO=$(PREFIX)/etc/anonymous.newsgroups macro
/dports/mail/imap-uw/imap-2007f/src/imapd/
H A DMakefile31 ANO=$(PREFIX)/etc/anonymous.newsgroups macro
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/Doc/
H A DMolecule.tex32 (ANO) basis sets\index{ANO basis set}\index{basis set!ANO}
162 ANO or NQvD sets.
546 when using the ANO\index{ANO basis set}\index{basis set!ANO} or
622 This input will give a [3s2p0d0f] ANO basis set\index{ANO basis set}\index{basis set!ANO}
628 Note that the number of contracted functions in the ANO\index{ANO basis set}\index{basis set!ANO}
950 \multicolumn{3}{l}{\bf{\emph{ANO basis sets\index{basis!ANO} -- see Sec.~\ref{sec:molbasis}.}}} \\
952 Almlof-Taylor-ANO & H--Ne & \cite{japrtjcp86} Almlof and Taylor ANO \\
955 ano-1 & H--Ne & \cite{powpambortca77} Roos Augmented ANO\\
958 ano-4 & H--Kr & \cite{kpbdpowbortca90} Roos ANO\\
1042 stuttgart\_rsc\_ano\_ecp & La-Lu & Stuttgart RSC ANO/ECP\\
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