- 23 Jul, 2019 3 commits
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Stefano de Gironcoli authored
addition of references for paro_gamma update to run_all_examples script
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Stefano de Gironcoli authored
change to pcg.f90 in ParO to force the residual and search vectors to be orthogonal to the occupied manyfold. Not totally sure of the S|psi0Xpsi0| or |psi0Xpsi0|S order
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Stefano de Gironcoli authored
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- 05 Apr, 2019 1 commit
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Stefano de Gironcoli authored
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- 04 Apr, 2019 2 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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- 03 Apr, 2019 1 commit
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Stefano de Gironcoli authored
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- 02 Apr, 2019 2 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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- 01 Apr, 2019 2 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
- solve the linear system in the subspace orthogonal to current occupied manyfold - as eigenvalues start converging use the available space to add extra correction vectors - preconditioning performed by calling g_1psi
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- 22 Mar, 2019 4 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
not strictly needed.
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- 21 Mar, 2019 1 commit
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Stefano de Gironcoli authored
Some unit-test stuff also added to UtilXlib install/makedeps script updated
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- 13 Aug, 2018 1 commit
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Stefano de Gironcoli authored
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- 08 Aug, 2018 1 commit
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Stefano de Gironcoli authored
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- 06 Aug, 2018 2 commits
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Stefano de Gironcoli authored
Performance still to be verified and tuned
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Stefano de Gironcoli authored
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- 05 Aug, 2018 5 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
updating cb_* codes. remove generic reference directory (each code has its one)
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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- 03 Aug, 2018 3 commits
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Stefano de Gironcoli authored
updated cb_ppcg mains with print_clocks calls. updated reference outputs for PPCG
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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- 26 Jul, 2018 1 commit
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Stefano de Gironcoli authored
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- 25 Jul, 2018 1 commit
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Stefano De Gironcoli authored
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- 24 Jul, 2018 2 commits
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Stefano de Gironcoli authored
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Stefano De Gironcoli authored
only ionode writes the output
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- 22 Jul, 2018 1 commit
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Stefano De Gironcoli authored
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- 21 Jul, 2018 3 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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- 20 Jul, 2018 4 commits
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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Stefano de Gironcoli authored
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