gaox-qd pysoc issues - Githubissues

gaox-qd / pysoc

PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+

https://github.com/jzpathfinder/pysoc

Apache License 2.0

36 stars 7 forks source link

issues

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PySOC running issue

#15 iamshahboz opened 4 weeks ago
2
Problem to run pysoc for a large system

#14 dpvalverde opened 2 months ago
0
Support for Python 3.x, improved logging, bugfixes

#13 oliver-s-lee closed 3 months ago
1
Error while running pysoc.py file

#12 priyanandchem opened 4 months ago
1
PySOC error

#11 abedisyedaliabbas opened 1 year ago
2
Conversion from (1,0,-1) representation to (x,y,z) one

#10 dpvalverde opened 1 year ago
3
License?

#9 oliver-s-lee closed 3 months ago
1
Error when reading gaussin output of g09

#8 somnathprinceton opened 3 years ago
1
Triplet-Triplet components of SOC matrix

#7 moritzH7 opened 4 years ago
3
I have gaussian 16 and python 3. Can I use this code?

#6 BidhanChandra opened 4 years ago
3
Error running pysoc

#5 shyamvkp opened 4 years ago
8
Error on SOZEFF for Cu in molsoc

#4 ralosant opened 5 years ago
3
How to deal with "mo normalization problem, check the MO reading"?

#3 tzyii closed 6 years ago
2
Compatible with G16?

#2 abbottjlu closed 6 years ago
2
I got an error IOError: [Errno 2] No such file or directory: 'molsoc_overlap.dat'

#1 abbottjlu closed 6 years ago
2