ryjmacdonell gimbal issues

ryjmacdonell / gimbal

Properties and transformations of 3D molecular geometries

MIT License

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Fixed time and mass conversion errors. Added joules and terahertz.

#33 ryjmacdonell closed 3 years ago
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Command line

#32 ryjmacdonell closed 5 years ago
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Adding tests

#31 ryjmacdonell closed 5 years ago
1
Symmetry partial update

#30 ryjmacdonell closed 5 years ago
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Substituents

#29 ryjmacdonell closed 5 years ago
1
Displace updates

#28 ryjmacdonell closed 5 years ago
1
Bundle kabsch

#27 ryjmacdonell closed 5 years ago
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Bundle kabsch

#26 ryjmacdonell closed 6 years ago
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Intcoord paths

#25 ryjmacdonell closed 7 years ago
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TrajDump conversion

#24 ryjmacdonell closed 5 years ago
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Auto formatting

#23 ryjmacdonell closed 7 years ago
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Functional group addition/replacement

#22 ryjmacdonell closed 5 years ago
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Molecular bundle writing

#21 ryjmacdonell closed 7 years ago
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TrajDump file format

#20 ryjmacdonell closed 7 years ago
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Momenta in I/O

#19 ryjmacdonell closed 6 years ago
1
Added plane angle and plane torsional angle

#18 ryjmacdonell closed 7 years ago
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Path generation

#17 ryjmacdonell opened 7 years ago
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Back compatibility

#16 ryjmacdonell closed 5 years ago
1
Graphical user interface

#15 ryjmacdonell opened 7 years ago
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Auto formatting

#14 ryjmacdonell closed 7 years ago
1
Internal coordinate displacement

#13 ryjmacdonell opened 7 years ago
1
Optimization

#12 ryjmacdonell opened 7 years ago
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Symmetrization

#11 ryjmacdonell opened 7 years ago
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Write natural internal coordinate generator

#10 ryjmacdonell opened 7 years ago
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Packaging

#9 ryjmacdonell closed 7 years ago
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General indices

#8 ryjmacdonell closed 8 years ago
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Bonding update

#7 ryjmacdonell closed 8 years ago
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Partial kabsch

#6 ryjmacdonell closed 8 years ago
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Molecule update

#5 ryjmacdonell closed 8 years ago
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Kabsch update

#4 ryjmacdonell closed 8 years ago
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Added variable Z-matrix import and export

#3 ryjmacdonell closed 8 years ago
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Added read_zmat and fixed dihedral definition

#2 ryjmacdonell closed 8 years ago
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Major edit

#1 ryjmacdonell closed 8 years ago
0