AOMix | B0238D58149083E35F799D5E2C22B9A4474A2B4B

AOMix

Name	AOMix	DOWNLOAD Copy Link Trouble downloading? see How To
Total Size	66.6 MB
Total Files	152
Hash	B0238D58149083E35F799D5E2C22B9A4474A2B4B

/.../ADF2004-dirac-BH3CO/
run.log	2.6 MB
fragm1.log	1.8 MB
fragm2.log	217.1 KB
AOMix-MO-FO-alpha.txt	107.5 KB
AOMix-MPA-fr2.txt	31.0 KB
AOMix-MO-FO-alpha.dat	28.4 KB
AOMix-MPA-fr2-DOS-line.txt	23.9 KB
AOMix-MPA-fr2-DOS.txt	20.5 KB
AOMix-FO.txt	19.9 KB
AOMix-MPA-fr2-OPDOS-line.txt	18.0 KB
AOMix-MPA-fr2-OPDOS.txt	10.9 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/ADF2005-BH3CO/
BH3CO.adfout	389.3 KB
fragm2.log	260.3 KB
fragm1.log	233.6 KB
AOMix-MO-FO-alpha.txt	57.8 KB
AOMix-MPA-fr2-DOS.txt	24.0 KB
AOMix-MO-FO-alpha.dat	21.0 KB
AOMix-MPA-fr2-OPDOS.txt	12.8 KB
AOMix-MPA-fr2.txt	9.8 KB
AOMix-FO.txt	8.7 KB
AOMix-MPA-fr2-DOS-line.txt	6.3 KB
AOMix-MPA-fr2-OPDOS-line.txt	4.7 KB
BH3CO.adfin	1.4 KB
fragm1.adfin	1.1 KB
fragm2.adfin	1.0 KB
/.../Building-the-initial-guess-from-fragment-wavefunctions/CDA-results/
AOMix-MPA-fr2-DOS.txt	30.9 KB
AOMix-MPA-fr2-OPDOS.txt	16.5 KB
AOMix-MO-FO-alpha.txt	9.1 KB
AOMix-CDA.txt	5.5 KB
AOMix-MPA-fr2.txt	3.5 KB
AOMix-MO-FO-alpha.dat	2.5 KB
AOMix-MPA-fr2-DOS-line.txt	1.3 KB
AOMix-MPA-fr2-OPDOS-line.txt	1.0 KB
/.../Building-the-initial-guess-from-fragment-wavefunctions/
whole-molecule.out	49.3 KB
fragm1.log	31.3 KB
fragm2.log	29.4 KB
whole-molecule.inp	5.0 KB
AOMix-fragment-wave.dat	4.4 KB
fragm1.inp	0.5 KB
fragm2.inp	0.5 KB
/.../Building-the-initial-guess-from-fragment-wavefunctions - UHF/
whole-molecule.out	84.2 KB
fragm1.log	43.9 KB
fragm2.log	42.9 KB
whole-molecule.inp	9.2 KB
AOMix-fragment-wave.dat	8.7 KB
AOMix-CDA.txt	1.0 KB
fragm1.inp	0.5 KB
fragm2.inp	0.5 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gamess(US)/CDA-calculation/
gamess.log	28.4 MB
FRAGM1.LOG	11.2 MB
FRAGM2.LOG	4.0 MB
AOMix-MO-FO-alpha.txt	526.9 KB
AOMix-MO-FO-alpha.dat	180.5 KB
AOMix-MPA-fr2.txt	81.6 KB
AOMix-MPA-fr2-DOS-line.txt	62.6 KB
AOMix-CDA.txt	46.6 KB
AOMix-MPA-fr2-OPDOS-line.txt	45.7 KB
AOMix-MPA-fr2-DOS.txt	18.8 KB
AOMix-MPA-fr2-OPDOS.txt	9.6 KB
AOMix-fr2-chimera.txt	2.5 KB
/.../MO-interaction-picture/
HCCH.jpg	394.5 KB
HCCH-S4.JNB	239.1 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-HCCH/
C2H2.log	293.2 KB
FRAGM2.LOG	115.6 KB
FRAGM1.LOG	115.5 KB
C2H2.gjf	0.4 KB
fragm2.gjf	0.2 KB
fragm1.gjf	0.2 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Gaussian03-NH3BH3/
NH3BH3-eda.out	257.7 KB
fragm1.log	79.2 KB
fragm2.log	77.7 KB
MO-diagram.JNB	71.2 KB
AOMix-MPA-fr2-DOS.txt	33.6 KB
NH3BH3-eda.gjf	29.6 KB
AOMix-MO-FO-alpha.txt	26.9 KB
AOMix-MPA-fr2-OPDOS.txt	17.9 KB
AOMix-MO-FO-alpha.dat	7.8 KB
AOMix-FO.txt	7.4 KB
AOMix-MPA-fr2.txt	6.4 KB
AOMix-MPA-fr2-DOS-line.txt	3.5 KB
AOMix-MPA-fr2-OPDOS-line.txt	2.6 KB
fragm1.gjf	0.3 KB
fragm2.gjf	0.3 KB
/.../MO-interaction-picture/
MO-diagram.JNB	75.8 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/HyperChem-BH3CO/
AOMix-SCPA-fr2-DOS.txt	29.0 KB
AOMix-MO-FO-alpha.txt	9.4 KB
AOMix-fr2-chimera.txt	8.7 KB
BH3CO.log	7.0 KB
AOMix-FO.txt	5.8 KB
fragm2.log	3.8 KB
fragm1.log	3.7 KB
AOMix-SCPA-fr2.txt	3.0 KB
AOMix-MO-FO-alpha-a1.dat	1.7 KB
AOMix-SCPA-fr2-DOS-line.txt	1.3 KB
AOMix-MO-FO-alpha-e.dat	0.9 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Q-Chem-3.2-BH3CO/
whole.log	472.6 KB
fragm2.log	172.1 KB
fragm1.log	90.4 KB
AOMix-MO-FO-alpha.txt	34.3 KB
AOMix-MPA-fr2-DOS.txt	33.1 KB
AOMix-MPA-fr2-OPDOS.txt	17.6 KB
AOMix-MO-FO-alpha.dat	11.8 KB
AOMix-FO.txt	7.4 KB
AOMix-MPA-fr2.txt	7.2 KB
AOMix-MPA-fr2-DOS-line.txt	4.3 KB
AOMix-MPA-fr2-OPDOS-line.txt	3.2 KB
whole.inp	0.6 KB
fragm1.inp	0.5 KB
fragm2.inp	0.4 KB
/.../EXAMPLES-Fragment-Orbital-Calculations (CDA, EDA, etc.)/Spartan08/
AOMix-MPA-fr2-DOS.txt	28.8 KB
AOMix-MPA-fr2-OPDOS.txt	15.3 KB
BH3CO.txt	12.1 KB
AOMix-MO-FO-alpha.txt	10.3 KB
fragm2.log	6.7 KB
fragm1.log	6.1 KB
AOMix-FO.txt	5.8 KB
AOMix-MPA-fr2.txt	3.3 KB
AOMix-MO-FO-alpha-a1.dat	1.7 KB
AOMix-MPA-fr2-DOS-line.txt	1.3 KB
AOMix-MO-FO-alpha-e.dat	1.2 KB
AOMix-MPA-fr2-OPDOS-line.txt	0.9 KB
/EXAMPLES/Spartan/
CO_res_closed.log	29.2 KB
AOMix-MPA-fr2-DOS.txt	27.9 KB
AOMix-MPA-fr2-OPDOS.txt	14.9 KB
AOMix-MPA-orb.txt	10.9 KB
AOMix-MPA-fr2.txt	4.9 KB
AOMix-fr2.txt	4.7 KB
AOMix-MPA-fr2-DOS-line.txt	2.5 KB
AOMix-fr2-chimera.txt	2.1 KB
AOMix-MPA-fr2-OPDOS-line.txt	1.9 KB
AOMix-fr2-chimera2.txt	0.0 KB
CO.dat	0.0 KB
/EXAMPLES/Turbomole/
aomix.in	4.7 MB
AOMix-MPA-orb.txt	539.3 KB
AOMix-MPA-atom-OPDOS.txt	367.8 KB
AOMix-MPA-atom-OPDOS-line.txt	317.0 KB
AOMix-MPA-atom.txt	198.8 KB
AOMix-MPA-atom-DOS.txt	78.0 KB
AOMix-MPA-atom-DOS-line.txt	65.3 KB
AOMix-atom.txt	23.7 KB
AOMix-atom-chimera.txt	8.0 KB
AOMix-atom-chimera2.txt	0.6 KB
/
AOMix-manual.pdf	2.5 MB
AOMix-FO.exe	811.1 KB
AOMix-L.exe	778.3 KB
AOMix-S.exe	606.3 KB
AOMix-p11.exe	471.1 KB
AOMix.exe	446.5 KB
AOMix-p1.exe	389.2 KB
aomix-p9.exe	389.2 KB
AOMIX-P8.EXE	89.6 KB
aomixpar.txt	2.3 KB
Total files 152