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sharc-md
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sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
https://www.sharc-md.org
GNU General Public License v3.0
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Frequency calculation for QM/MM
#14
jokurian
closed
3 years ago
6
CASPT2 with SHARC+OpenMolcas
#13
ramess101
closed
4 years ago
10
Isotopes with OpenMolcas
#12
ramess101
closed
4 years ago
3
OpenMolcas: WorkDir/OutputDir
#11
MaxParadiz
closed
4 years ago
0
Tutorial Compute Time
#10
ramess101
closed
4 years ago
3
RasOrb vs JobIph
#9
ramess101
closed
4 years ago
11
pymolcas location
#8
ramess101
closed
4 years ago
3
Executables in git (and release tarballs)
#7
mbanck
closed
4 years ago
2
python3 support
#6
mbanck
closed
4 years ago
2
No module named sharc.pysharc.interface
#5
abbottjlu
closed
4 years ago
5
update v2.1
#4
markusoppel
closed
5 years ago
0
Fixed Moritz bug
#3
markusoppel
closed
5 years ago
0
Initial commit v2.1
#2
markusoppel
closed
5 years ago
0
Interface to an open source quantum chemistry code
#1
mbanck
closed
6 years ago
2
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