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molmod
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tamkin
TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
http://molmod.github.io/tamkin
GNU General Public License v3.0
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test_vsa_no_mass fails
#43
Flamefire
opened
9 months ago
2
Update README.rst
#42
eric-gitta-moore
closed
6 months ago
0
Ubuntu focal Python37 installation fail
#41
eric-gitta-moore
opened
11 months ago
0
Bug in tamkin.io.trajectory.py
#40
jeveki
opened
1 year ago
0
Analysis for ADF output files
#39
IliasChair
opened
3 years ago
0
Molpro output parser
#38
zhaiyusci
opened
4 years ago
3
Read Molpro output
#37
zhaiyusci
opened
4 years ago
2
Change true to integer division
#36
tovrstra
closed
4 years ago
1
Update install.rst
#35
mefuller
opened
4 years ago
0
installation in windows 10
#34
IsaacBlanco1
opened
4 years ago
3
Replace nosetests by PyTest
#33
tovrstra
closed
4 years ago
1
Do not use relative paths with pkg_resources
#32
tovrstra
closed
4 years ago
1
Drop timer module
#31
tovrstra
closed
4 years ago
1
Update install.rst
#30
mefuller
closed
4 years ago
2
update time calls for python3.8
#29
mefuller
closed
4 years ago
3
Update installation instructions (Fedora/Python 3)
#28
mefuller
closed
4 years ago
1
nosetest fail: timer.py
#27
mefuller
closed
4 years ago
1
Update installation instructions (Ubuntu/Python 3)
#26
mefuller
closed
4 years ago
1
Function to read/return ORCA single point energy
#25
mefuller
opened
4 years ago
0
Renamed aux.rst to auxiliary.rst
#24
Gabriel-Rath
closed
4 years ago
0
nosetests molmod fails
#23
wk858834
closed
4 years ago
12
Fix typo in Gaussian normal mode output
#22
tovrstra
closed
5 years ago
1
Update installation instructions with conda-forge packages
#21
tovrstra
closed
4 years ago
0
Fix print statement
#20
jan-janssen
closed
5 years ago
5
Enable CI with Python 3.7
#19
tovrstra
closed
5 years ago
3
Python 3 related fixes
#18
jan-janssen
closed
5 years ago
10
Update manifest to include COPYING
#17
jan-janssen
closed
5 years ago
2
nosetests -v tamkin
#16
raghavven
closed
5 years ago
8
Probably bug in cp2k.py
#15
antoscha
opened
6 years ago
2
Python 2 style 'print' being used in Python 3?
#14
mathemaphysics
closed
5 years ago
5
Installation of Tamkin Software
#13
cmaarora
closed
4 years ago
2
Zipunsafe
#12
tovrstra
closed
5 years ago
0
0 tests
#11
SidraFirdous
opened
6 years ago
2
Molmodbot
#10
tovrstra
closed
7 years ago
1
Enable coverage analysis on codecov.io
#9
tovrstra
closed
7 years ago
1
Document partial Hessian input cp2k
#8
tovrstra
closed
7 years ago
0
Normalized code
#7
tovrstra
closed
7 years ago
0
Restructure package for PyPI compatibility
#6
tovrstra
closed
7 years ago
0
Version
#5
tovrstra
closed
7 years ago
0
Driver vasp cp2k mbh
#4
tovrstra
closed
7 years ago
0
Improve indicices
#3
tovrstra
closed
7 years ago
0
5T examples
#2
muthukumar2k3
closed
7 years ago
2
NAMD trajectory files
#1
MamtaMohan
closed
7 years ago
2