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nutjunkie
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IQmol
IQmol is an open source molecular editor and visualization package
GNU General Public License v3.0
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Saving Picture in MacOS Ventura is broken
#67
peverati
opened
1 year ago
0
server configuration import not working
#66
sakul-45
opened
1 year ago
0
Can't submit jobs to Q-Chem's server – SSL handshake failed
#65
peverati
opened
1 year ago
2
No queues found on server error with fresh 2.15.3 install - server misconfiguration?
#64
Ecaloota
closed
1 year ago
3
Ubuntu 22 Support?
#63
Polydynamical
opened
2 years ago
8
Reindexing Atoms Unclear
#62
morrismuehl
opened
2 years ago
0
Job list causes delayed startup
#61
rpsteele
opened
2 years ago
0
Vibrational frequencies not viewable from fchk file
#60
rpsteele
opened
2 years ago
0
Lineshape function in vibrational viewer does not adjust to range
#59
rpsteele
opened
2 years ago
0
Default vibrational spectrum range omits high-frequency transitions
#58
rpsteele
opened
2 years ago
0
Atom highlighting flaky
#57
rpsteele
opened
2 years ago
0
Geometry not propagating after job returns
#56
rpsteele
opened
2 years ago
1
Port IQmol to OpenBabel 3
#55
susilehtola
opened
2 years ago
0
Using Openbabel3
#54
sagitter
opened
2 years ago
5
Libpng fix
#53
Ecaloota
closed
1 year ago
0
conda / brew build instructions for mac osx
#52
Ecaloota
closed
2 years ago
1
CMake files don't work
#51
mindeye33
opened
2 years ago
0
added new orbital type (OSLO) in visualization and parsing .fchk files
#50
mindeye33
closed
2 years ago
2
Status Update
#49
chiensh
opened
3 years ago
1
setting local server windows 10
#48
defanet
opened
3 years ago
0
Missing names in some xyz files
#47
SomeAnonimCoder
opened
3 years ago
0
ssh remote connection error
#46
kristirme
closed
3 years ago
0
IQmol 2.14 crashes on virtual machines with no gpu
#45
Angelworks
closed
3 years ago
2
add checkboxes for libwfa for CIS, ADC, EOM-CC
#44
felixplasser
opened
3 years ago
0
Consistent directory case in Preferences.C
#43
susilehtola
closed
3 years ago
0
Job submission via Q-Chem server fails
#42
felixplasser
closed
3 years ago
2
NBOs in IQmol
#41
felixplasser
closed
3 years ago
2
CIS/TDDFT excited states
#40
felixplasser
closed
4 years ago
2
Cannot setup geometries for Freezing String Method jobs
#39
slipchenko
opened
4 years ago
0
Job Monitor won't clear lists, and returns tons of popups
#38
dashariaty
opened
4 years ago
0
executable does not start
#37
KatharinaDD
opened
4 years ago
0
How to generate the symmetry information directly?
#36
sym823808458
opened
4 years ago
0
IQmol 2.14.0 does not compile
#35
susilehtola
closed
4 years ago
4
copy and paste molecule fragment
#34
timpaula
opened
5 years ago
1
feature request: z-matrix as input
#33
timpaula
opened
5 years ago
4
Ubuntu 18 compilation trouble
#32
freecurve
opened
5 years ago
1
Cannot find source file: Qui/QCJob.C
#31
yurivict
opened
5 years ago
0
Permission Problem on setting sever.
#30
idtwar
opened
5 years ago
0
Include correct header for boost::next
#29
jwakely
opened
5 years ago
0
Build fails: Unknown CMake command "qt4_wrap_cpp"
#28
yurivict
closed
5 years ago
0
Add carbonyl (-C≡O) fragment
#27
susilehtola
opened
5 years ago
0
Missing header file Qui/QCJob.h in master
#26
ZQyou
closed
6 years ago
0
Proposal for iqmol
#25
arie1985
opened
6 years ago
0
proposal logo for the web
#24
noviantiidr
opened
6 years ago
0
Tag and IQmol version will not update if main.C is not touched
#22
ZQyou
opened
6 years ago
0
EOM-CCSD Single point does not run
#21
lambrw91
opened
6 years ago
1
Feature request
#20
adpnm
opened
7 years ago
0
Cannot load Qt platforms in Windows! Error
#19
ghost
opened
7 years ago
2
Feature request: plot localized orbital sections
#18
berquist
opened
7 years ago
0
libopenbabel.so.4 and libopenbabel.so.5
#17
stefabat
closed
7 years ago
2
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