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grimme-lab
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mctc-lib
Modular computation tool chain library
https://grimme-lab.github.io/mctc-lib
Apache License 2.0
15
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17
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Description
#20
Beliavsky
closed
2 years ago
2
Ensure module output directory is generated in configure stage
#19
awvwgk
closed
3 years ago
1
Update Turbomole reader
#18
awvwgk
closed
3 years ago
1
Release version 0.2.3
#17
awvwgk
closed
3 years ago
1
Adjust CMake build files to allow usage as dependency
#16
awvwgk
closed
3 years ago
1
Allow installation of module files
#15
awvwgk
closed
3 years ago
1
Allocate lattice for non-periodic structures
#14
awvwgk
closed
3 years ago
1
openmp when subproject
#13
loriab
closed
3 years ago
2
Add coverage analysis
#12
awvwgk
closed
3 years ago
1
Allow usage of template input to amend geometry information
#11
awvwgk
closed
3 years ago
0
Implement system commands
#10
awvwgk
closed
3 years ago
0
Add meta data to fpm package manifest
#9
awvwgk
closed
3 years ago
0
Implement CMake build system
#8
awvwgk
closed
3 years ago
0
Add pages documentation regarding supported file formats
#7
awvwgk
closed
3 years ago
0
Update CI workflow
#6
awvwgk
closed
3 years ago
0
Implement reading and writing of structure_type arrays
#5
awvwgk
closed
1 month ago
0
Implement bond topology in structure_type
#4
awvwgk
closed
3 years ago
0
Support atomic number in xyz format instead of symbols
#3
awvwgk
closed
3 years ago
0
Allow log extension for xyz files
#2
awvwgk
closed
3 years ago
0
Add GH actions for CI
#1
awvwgk
closed
3 years ago
0
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