rgpot
Ecosystem
eOn
Saddle point finding on potential energy surfaces
rgpot
Potential-energy library and Cap'n Proto RPC server
rgmin
Local minimization over eindir objectives
rgsaddle
Band and minimum-mode saddle mechanics over rgmin
cpmdc
C ABI layer for embedding OpenCPMD
rgpycrumbs
Pure-Python computational library and CLI for chemical physics
minimage
Minimum-image convention on a general parallelepiped
linkcell
Periodic linked-cell k-nearest neighbour search
readcon
Reference implementation of versioned CON checkpoints
readcon-db
Mmap-backed CON campaign corpus store
readcon-ops
Comparisons and rigid alignment of coordinate frames
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rgpot
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API Reference
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Global Namespace
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namespace rgpot
rgpot