AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/run.log |
2.5 MB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/fragm1.log |
1.7 MB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/fragm2.log |
212 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MO-FO-alpha.txt |
105 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MPA-fr2.txt |
30 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MO-FO-alpha.dat |
28 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MPA-fr2-DOS-line.txt |
23 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MPA-fr2-DOS.txt |
20 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-FO.txt |
19 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MPA-fr2-OPDOS-line.txt |
18 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2004-dirac-BH3CO/AOMix-MPA-fr2-OPDOS.txt |
11 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/BH3CO.adfout |
380 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/fragm2.log |
254 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/fragm1.log |
228 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MO-FO-alpha.txt |
56 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MPA-fr2-DOS.txt |
23 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MO-FO-alpha.dat |
20 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MPA-fr2-OPDOS.txt |
12 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MPA-fr2.txt |
10 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-FO.txt |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MPA-fr2-DOS-line.txt |
6 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/AOMix-MPA-fr2-OPDOS-line.txt |
5 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/BH3CO.adfin |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/fragm1.adfin |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/fragm2.adfin |
990 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MPA-fr2-DOS.txt |
30 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MPA-fr2-OPDOS.txt |
16 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MO-FO-alpha.txt |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-CDA.txt |
5 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MPA-fr2.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MO-FO-alpha.dat |
2 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MPA-fr2-DOS-line.txt |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/AOMix-MPA-fr2-OPDOS-line.txt |
1008 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/whole-molecule.out |
48 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/fragm1.log |
31 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/fragm2.log |
29 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/whole-molecule.inp |
5 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/AOMix-fragment-wave.dat |
4 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/fragm1.inp |
525 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions/fragm2.inp |
525 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/whole-molecule.out |
82 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/fragm1.log |
43 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/fragm2.log |
42 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/whole-molecule.inp |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/AOMix-fragment-wave.dat |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/AOMix-CDA.txt |
998 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/fragm1.inp |
521 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/Building-the-initial-guess-from-fragment-wavefunctions - UHF/fragm2.inp |
521 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/gamess.log |
27 MB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/FRAGM1.LOG |
10.7 MB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/FRAGM2.LOG |
3.8 MB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MO-FO-alpha.txt |
515 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MO-FO-alpha.dat |
176 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MPA-fr2.txt |
80 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MPA-fr2-DOS-line.txt |
61 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-CDA.txt |
46 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MPA-fr2-OPDOS-line.txt |
45 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MPA-fr2-DOS.txt |
18 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-MPA-fr2-OPDOS.txt |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/AOMix-fr2-chimera.txt |
2 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/MO-interaction-picture/HCCH.jpg |
385 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/MO-interaction-picture/HCCH-S4.JNB |
234 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/C2H2.log |
286 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/FRAGM2.LOG |
113 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/FRAGM1.LOG |
113 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/C2H2.gjf |
367 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/fragm2.gjf |
235 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/fragm1.gjf |
234 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/NH3BH3-eda.out |
252 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/fragm1.log |
77 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/fragm2.log |
76 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/MO-diagram.JNB |
70 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MPA-fr2-DOS.txt |
33 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/NH3BH3-eda.gjf |
29 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MO-FO-alpha.txt |
26 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MPA-fr2-OPDOS.txt |
17 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MO-FO-alpha.dat |
8 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-FO.txt |
7 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MPA-fr2.txt |
6 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MPA-fr2-DOS-line.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/AOMix-MPA-fr2-OPDOS-line.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/fragm1.gjf |
317 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/fragm2.gjf |
317 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/MO-interaction-picture/MO-diagram.JNB |
74 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-SCPA-fr2-DOS.txt |
28 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-MO-FO-alpha.txt |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-fr2-chimera.txt |
9 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/BH3CO.log |
7 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-FO.txt |
6 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/fragm2.log |
4 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/fragm1.log |
4 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-SCPA-fr2.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-MO-FO-alpha-a1.dat |
2 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-SCPA-fr2-DOS-line.txt |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/AOMix-MO-FO-alpha-e.dat |
870 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/whole.log |
462 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/fragm2.log |
168 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/fragm1.log |
88 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MO-FO-alpha.txt |
33 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MPA-fr2-DOS.txt |
32 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MPA-fr2-OPDOS.txt |
17 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MO-FO-alpha.dat |
12 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-FO.txt |
7 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MPA-fr2.txt |
7 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MPA-fr2-DOS-line.txt |
4 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/AOMix-MPA-fr2-OPDOS-line.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/whole.inp |
605 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/fragm1.inp |
537 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/fragm2.inp |
380 B |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MPA-fr2-DOS.txt |
28 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MPA-fr2-OPDOS.txt |
15 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/BH3CO.txt |
12 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MO-FO-alpha.txt |
10 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/fragm2.log |
7 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/fragm1.log |
6 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-FO.txt |
6 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MPA-fr2.txt |
3 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MO-FO-alpha-a1.dat |
2 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MPA-fr2-DOS-line.txt |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MO-FO-alpha-e.dat |
1 KB |
AOMix/EXAMPLES/EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/AOMix-MPA-fr2-OPDOS-line.txt |
945 B |
AOMix/EXAMPLES/Spartan/CO_res_closed.log |
29 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-fr2-DOS.txt |
27 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-fr2-OPDOS.txt |
15 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-orb.txt |
11 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-fr2.txt |
5 KB |
AOMix/EXAMPLES/Spartan/AOMix-fr2.txt |
5 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-fr2-DOS-line.txt |
2 KB |
AOMix/EXAMPLES/Spartan/AOMix-fr2-chimera.txt |
2 KB |
AOMix/EXAMPLES/Spartan/AOMix-MPA-fr2-OPDOS-line.txt |
2 KB |
AOMix/EXAMPLES/Spartan/AOMix-fr2-chimera2.txt |
46 B |
AOMix/EXAMPLES/Spartan/CO.dat |
32 B |
AOMix/EXAMPLES/Turbomole/aomix.in |
4.4 MB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-orb.txt |
527 KB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-atom-OPDOS.txt |
359 KB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-atom-OPDOS-line.txt |
310 KB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-atom.txt |
194 KB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-atom-DOS.txt |
76 KB |
AOMix/EXAMPLES/Turbomole/AOMix-MPA-atom-DOS-line.txt |
64 KB |
AOMix/EXAMPLES/Turbomole/AOMix-atom.txt |
23 KB |
AOMix/EXAMPLES/Turbomole/AOMix-atom-chimera.txt |
8 KB |
AOMix/EXAMPLES/Turbomole/AOMix-atom-chimera2.txt |
555 B |
AOMix/AOMix-manual.pdf |
2.4 MB |
AOMix/AOMix-FO.exe |
792 KB |
AOMix/AOMix-L.exe |
760 KB |
AOMix/AOMix-S.exe |
592 KB |
AOMix/AOMix-p11.exe |
460 KB |
AOMix/AOMix.exe |
436 KB |
AOMix/AOMix-p1.exe |
380 KB |
AOMix/aomix-p9.exe |
380 KB |
AOMix/AOMIX-P8.EXE |
87 KB |
AOMix/aomixpar.txt |
2 KB |