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qmcpack/examples/solids
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Paul Kent 5b7285fcb3 Add units to QE ATOMIC_POSITIONS 2024-02-14 19:02:16 -05:00
..
dft-inputs Add units to QE ATOMIC_POSITIONS 2024-02-14 19:02:16 -05:00
dft-inputs-no-collect Add units to QE ATOMIC_POSITIONS 2024-02-14 19:02:16 -05:00
dft-inputs-polarized Add units to QE ATOMIC_POSITIONS 2024-02-14 19:02:16 -05:00
dft-inputs-polarized-no-collect Add units to QE ATOMIC_POSITIONS 2024-02-14 19:02:16 -05:00
pyscf-inputs Checks plus fix 2021-02-26 13:42:10 -05:00
rmg-inputs/Diamond2-1x1x1-gamma-ccECP add real-space RMG converter to convert4qmc (#3351) 2021-11-03 21:27:16 +00:00
H.xml Simple example primitive cell of LiH 2015-05-29 22:21:25 +00:00
Li.xml Simple example primitive cell of LiH 2015-05-29 22:21:25 +00:00
LiH.h5 Simple example primitive cell of LiH 2015-05-29 22:21:25 +00:00
simple-LiH.xml Simple example primitive cell of LiH 2015-05-29 22:21:25 +00:00