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Analytical Hessian MPI Build #683: Pull request #300 synchronize by akhilshajan
February 16, 2024 16:07 17m 10s akhilshajan:hessana
akhilshajan:hessana
February 16, 2024 16:07 17m 10s
Analytical Hessian MPI Build #682: Pull request #300 synchronize by akhilshajan
February 16, 2024 16:00 3m 17s akhilshajan:hessana
akhilshajan:hessana
February 16, 2024 16:00 3m 17s
Extend printout for DC-MP2 MPI Build #681: Commit e7ac1be pushed by dkaliakin
February 14, 2024 02:51 6h 0m 40s dnc-development
dnc-development
February 14, 2024 02:51 6h 0m 40s
Merge pull request #308 from akhilshajan/dnc-development MPI Build #680: Commit 39940d9 pushed by akhilshajan
February 14, 2024 00:39 17m 17s dnc-development
dnc-development
February 14, 2024 00:39 17m 17s
Addition of buffer 2 in DNC MPI Build #679: Pull request #308 opened by akhilshajan
February 14, 2024 00:36 17m 48s akhilshajan:dnc-development
akhilshajan:dnc-development
February 14, 2024 00:36 17m 48s
Merge pull request #307 from akhilshajan/dnc-development MPI Build #678: Commit 7fdb952 pushed by akhilshajan
February 12, 2024 18:56 17m 31s dnc-development
dnc-development
February 12, 2024 18:56 17m 31s
Unrestricted DnC MPI Build #677: Pull request #307 opened by akhilshajan
February 12, 2024 16:45 18m 2s akhilshajan:dnc-development
akhilshajan:dnc-development
February 12, 2024 16:45 18m 2s
BUG FIX; read CORE/BUFFER.DNC only if OWNFRAG MPI Build #676: Commit b301a49 pushed by dkaliakin
February 9, 2024 17:31 17m 34s dnc-development
dnc-development
February 9, 2024 17:31 17m 34s
Clean up OWNFRAG code; 15 atom/frag limit for now MPI Build #675: Commit 31c7bce pushed by dkaliakin
February 9, 2024 03:27 18m 11s dnc-development
dnc-development
February 9, 2024 03:27 18m 11s
Updated XYZ-out format for all MFCC frag/cap MPI Build #674: Commit a63700b pushed by dkaliakin
February 2, 2024 21:59 17m 31s dnc-development
dnc-development
February 2, 2024 21:59 17m 31s
Introduced DIISOFF after rms change for density matrix reaches 10^-4au MPI Build #673: Commit 91ab2bf pushed by akhilshajan
February 1, 2024 16:23 17m 29s dnc-development
dnc-development
February 1, 2024 16:23 17m 29s
change the allocation for consistency MPI Build #672: Commit 0fdc928 pushed by akhilshajan
January 31, 2024 22:49 17m 42s dnc-development
dnc-development
January 31, 2024 22:49 17m 42s
Add cshell_dnscreen from hfdeltadc to hfdc; keep inactive MPI Build #671: Commit d655c7c pushed by dkaliakin
January 23, 2024 20:20 3m 19s dnc-development
dnc-development
January 23, 2024 20:20 3m 19s
Cleaned up electdiisdc, made it more consistent with electdiis MPI Build #670: Commit 8042a36 pushed by dkaliakin
January 15, 2024 03:14 3m 9s dnc-development
dnc-development
January 15, 2024 03:14 3m 9s
Call cshell_density_cutoff after save dens. mat. in DnC MPI Build #669: Commit 99716c2 pushed by dkaliakin
January 12, 2024 22:06 3m 16s dnc-development
dnc-development
January 12, 2024 22:06 3m 16s
Analytical Hessian MPI Build #668: Pull request #300 opened by akhilshajan
November 22, 2023 17:31 17m 42s akhilshajan:hessana
akhilshajan:hessana
November 22, 2023 17:31 17m 42s
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