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SBiCGの非対角同時計算とLOBPCG/SBiCG/TPQに対する複ベクトル高速化 #148

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SBiCGの非対角同時計算とLOBPCG/SBiCG/TPQに対する複ベクトル高速化 #148

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以前のもの
#66
と違って、LanczosとConteneous memory accessは残しています。

@mitsuaki1987
Add sample for the dinamical green's function with Fourier trans.
b0b9569
@mitsuaki1987
[Bugfix] The reciprocal lattice vector was incorrect.
b533d19
@mitsuaki1987
Update manual (JP):
cfe2273 
* Usage of dynamicalr2k
* New keyword for CalcSpec and SpectrumType
@mitsuaki1987
Implement CMA
4407225
@mitsuaki1987
Merge branch 'sz_omp' into kawamura1
3c25813
@mitsuaki1987
Merge remote-tracking branch 'remotes/origin/develop' into kawamura1
bd3466c
@mitsuaki1987
Restore the deleted submodule
c203e2b
@mitsuaki1987
To pass the tests.
ebf21cd 
lobcg_kondo*.sh: Indices for itenerant  was incorrect. this was fixed before, but not applied in these tests.
spectrum_spin_kagome.sh: S+S- excitation
lobcg_genspin_ladder.sh: D-term with general spin
spectrum_spin_kagome.sh
@mitsuaki1987
Previous commit was failed in macos because of absence of inclusion.
32c5b57
@mitsuaki1987
FullDiag by ScaLAPACK did not work.
69febe0
@mitsuaki1987
Precious verion was not build in macos because of incomplete decleara…
8c598ee 
…tion.

Adopt the warning message by -Wall of gcc (delete unused variables and arguments.
@mitsuaki1987
omega in spectrum appears as (w - e_j + e_i), not (w - e_j).
fa5ce0e
@mitsuaki1987
Name of dynamical green's function was changed.
2e3040c 
Mesh plot -> line segment plot (2 blank lines)
@mitsuaki1987
Backup
22bc1de
@mitsuaki1987
BugFix: All test passes
b52fccd
@mitsuaki1987
Merge remote-tracking branch 'remotes/origin/develop' into kawamura1
84b2ad9
@mitsuaki1987
Bugfix in spectrum by BiCG with multiple eigenstates
68d9290 
Remove Komega
@mitsuaki1987
Update manual for dynamical green's function.
6c591ad 
dynamicalr2k, greenr2k: temperature dependent
@mitsuaki1987
Manual for dynamical correlation functions are updated
a434670
@mitsuaki1987
This preamble must be included to avoid error in make tutorial-en-pdf
a3610f9
@mitsuaki1987
Dry run should be executed in serial
464912d
@mitsuaki1987
Merge branch 'kawamura1' of github.com:issp-center-dev/HPhi into kawa…
225d787 
…mura1
@mitsuaki1987 mitsuaki1987 mentioned this pull request Oct 20, 2023
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@mitsuaki1987
In Fugaku and FX1000, "work" variable for ZHEEVD mst be allocated pos…
8de7984 
…ix_memalign (NOT malloc/calloc).

Otherwise HPhi crashes when we use SVE.
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@mitsuaki1987
スペクトル計算の仕様が変わってしまったため、tutorial4が動かなくなっているようです。元の計算と同じ計算ができるよう、そちらも修正していただけるでしょうか？

@mitsuaki1987
(Bug Fix) Tutorial for the spectrum calculation did not work after the
84a1aea 
modification of the file-format change in spectrum function.
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Tutorial 4が動くようにpythonスクリプトとAll.shを変更しました。
またCalcSpectrum.cのファイル読み込みのところにバグを入れてしまっていたので直しました。

@mitsuaki1987
Fix unstable behaviorin LOBPCG:
d9e2072 
The resulting vectors of subspace diagonalization should be the same
across processes.
This caused error in Fugaku with SVE.
Also fix typo of overlap
@mitsuaki1987
Merge remote-tracking branch 'remotes/origin/develop' into kawamura1
23ae41c
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@mitsuaki1987 @k-yoshimi @yyamaji