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qbox
qbox-public
Commits
bfaf48af
Commit
bfaf48af
authored
3 years ago
by
Francois Gygi
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rel1_73_3
parent
251a2a48
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README
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README
src/notes
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src/notes
src/release.cpp
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src/release.cpp
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README
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bfaf48af
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@@ -29,3 +29,4 @@
Quan (Andy) Wan implemented the electric field.
Ma He contributed to the implementation of the response functionality.
Michael LaCount implemented the SCAN meta-GGA density functional.
Jiawei Zhan contributed a fix of the RSH functional.
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src/notes
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bfaf48af
--------------------------------------------------------------------------------
rel1_73_3
--------------------------------------------------------------------------------
dff558a Make delta_ member of LineMinimizer, set to 1.1
641deae Fix RSHFunctional Fx enhancement factor
550005c Fix ekin_e for nspin=2 CP dynamics
493bdb0 Change delta to 0.3 in LineMinimizer.cpp (undone later)
9bd517d Add util/qbox_vavg.py for average potential calcs
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rel1_73_2
--------------------------------------------------------------------------------
Fix testSlaterDet output
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src/release.cpp
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bfaf48af
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@@ -19,5 +19,5 @@
#include
"release.h"
std
::
string
release
(
void
)
{
return
std
::
string
(
"rel1_73_
2dev
"
);
return
std
::
string
(
"rel1_73_
3
"
);
}
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