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Molden2AIM
Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
MIT License
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Normalization check failure
#17
Madu86
opened
8 months ago
1
Spin polarization lost when transforming CASSCF files for an open-shell state (quartet)
#16
valerie-vallet
opened
1 year ago
1
About the ghost atom
#15
mhyeok1
closed
1 year ago
3
ver. 5.0.7 not recognising Xe
#14
rdmpz
closed
1 year ago
2
Cartesian-to-Spherical MO Coefficients Conversion
#13
gaurabganguly1989
opened
1 year ago
10
Generating .47 file
#12
alintoth
closed
2 years ago
0
'Strange occupation' override switch
#11
srk
opened
3 years ago
1
RECOMMENDATION: optionally, put the hostname and full path to the input MOLDEN file in the 'Title' tag of the output file
#10
srk
opened
3 years ago
4
Compilation fails with gcc 10.1.0 (Error: Type mismatch in argument …)
#9
goofus
opened
4 years ago
2
molden file from turbomole
#8
angelikac86
closed
4 years ago
7
Counterpoise Corrected WF (remove nulceii)
#7
goofus
closed
4 years ago
7
Normalization Check Failed when generating .wfn/.wfx file from NWChem 6.8 molden file output
#6
ghost
opened
6 years ago
8
Got "Normalization check failed." when generate a *.wfn from a molden file of ORCA
#5
NKUCodingCat
closed
6 years ago
2
Segmentation fault: 11
#4
Karen-yx
opened
7 years ago
5
Terachem Molden file error
#3
amrhamedp
opened
7 years ago
3
Using Molden2AIM for large systems
#2
helenaqi
opened
7 years ago
4
Generating .47 file from Molcas
#1
tjduigna
opened
8 years ago
5