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Commits
: Listings
Analyzed
12 months
ago. based on code collected
12 months
ago.
Jan 18, 2023 — Jan 18, 2024
Showing page 10 of 269
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test
fbischoff
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over 1 year ago
compatible with qrp
Adrian Hurtado
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over 1 year ago
teach MADNESS how to serialize std::optional
Eduard Valeyev
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over 1 year ago
use FindOrFetch scripts from the MADNESS tree
Eduard Valeyev
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over 1 year ago
amends https://github.com/m-a-d-n-e-s-s/madness/commit/0ed41fa2ba9b6bfdc97d6787e60a694352841868
Eduard Valeyev
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over 1 year ago
Update tutorial.md
hborchert
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over 1 year ago
all future databases rely on definition of json_data directory
Adrian Hurtado
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over 1 year ago
call it molecules
Adrian Hurtado
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over 1 year ago
remove unused header file
Adrian Hurtado
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over 1 year ago
Merge pull request #468 from m-a-d-n-e-s-s/pr-cleanup1
fbischoff
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over 1 year ago
fixed failing test
fbischoff
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over 1 year ago
usability improvements
fbischoff
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over 1 year ago
tighten the density convergence threshold
Adrian Hurtado
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over 1 year ago
Merge branch 'master' into molresponse_development
Adrian Hurtado
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over 1 year ago
can't trust the value unless I copy it
Adrian Hurtado
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over 1 year ago
Merge pull request #467 from m-a-d-n-e-s-s/pr-cleanup-compilation-warnings
fbischoff
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over 1 year ago
try moving density residual
Adrian Hurtado
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over 1 year ago
try this
Adrian Hurtado
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over 1 year ago
fence
Adrian Hurtado
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over 1 year ago
try to fix printing of d residual
Adrian Hurtado
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over 1 year ago
density residual printing
Adrian Hurtado
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over 1 year ago
copy rho
Adrian Hurtado
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over 1 year ago
box size
Adrian Hurtado
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over 1 year ago
change sprintf to snprintf
fbischoff
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over 1 year ago
try density this way
Adrian Hurtado
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over 1 year ago
change it back
Adrian Hurtado
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over 1 year ago
new implementation of k1
Adrian Hurtado
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over 1 year ago
fix k1
Adrian Hurtado
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over 1 year ago
fix the residual
Adrian Hurtado
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over 1 year ago
this might change something
Adrian Hurtado
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over 1 year ago
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