Electronic structure picks
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QUIP
QUIP PublicForked from libAtoms/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
Fortran 1
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castepy
castepy PublicForked from tfgg/castepy
Python routines to generate CASTEP input files and process output. Maintained by Tim Green ([email protected]).
Python
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magres-format
magres-format PublicForked from tfgg/magres-format
Code for parsing CCP-NC ab-initio magnetic resonance file format and processing ab-initio magnetic resonance parameters. Maintained by Tim Green ([email protected]).
Python
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StructurePipe
StructurePipe PublicForked from muhrin/StructurePipe
High throughput (crystal) structure processing code
C
Repositories
- pyblock Public Forked from jsspencer/pyblock
python module for performing blocking analysis on data containing serial correlations
ccp9-community/pyblock’s past year of commit activity - QUIP Public Forked from libAtoms/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
ccp9-community/QUIP’s past year of commit activity - magres-format Public Forked from tfgg/magres-format
Code for parsing CCP-NC ab-initio magnetic resonance file format and processing ab-initio magnetic resonance parameters. Maintained by Tim Green ([email protected]).
ccp9-community/magres-format’s past year of commit activity - castepy Public Forked from tfgg/castepy
Python routines to generate CASTEP input files and process output. Maintained by Tim Green ([email protected]).
ccp9-community/castepy’s past year of commit activity - pw-sgwpy Public Forked from Montmorency/pw-sgwpy
Quantum Espresso/SGW parsing/workflow/plotting scripts
ccp9-community/pw-sgwpy’s past year of commit activity - dftatom Public Forked from certik/dftatom
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
ccp9-community/dftatom’s past year of commit activity - StructurePipe Public Forked from muhrin/StructurePipe
High throughput (crystal) structure processing code
ccp9-community/StructurePipe’s past year of commit activity