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siesta-project
siesta
Commits
bcdc95b2
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bcdc95b2
authored
Jan 19, 2021
by
Nick R. Papior
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doc: updated releases notes
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e18f308e
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ReleaseNotes.md
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bcdc95b2
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@@ -26,6 +26,12 @@ grouped under headings representing past (and upcoming) releases.
### Changes
*
Removed memory leaks for k-point samplings in MD runs, #58
*
If compiling with Gfortran 10, there will be lots of errors, please see manual
*
Changed LDA+U to DFT+U to clarify its usage is not restricted to LDA
*
Fixed regression in OMM routines due to resetting of qtots
(introduced when fixing the NC/SOC occupation problem)
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@@ -52,7 +58,8 @@ grouped under headings representing past (and upcoming) releases.
*
Document the setting of 'neigwanted' and print them if the diag solver allows it.
*
Fix computation of NC/SOC occupations when the (optional) number of
eigenstates handled ('neigwanted') is less than the number of orbitals.
eigenstates handled ('neigwanted') is less than the number of orbitals, and
enabled parallel k calculations !9
*
Fix reading of wave-functions in Util/COOP/fat.f90
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