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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-s…
QP Compilation #600: Commit aa70f6f pushed by scemama
March 14, 2025 17:11 1m 41s dev-stable
March 14, 2025 17:11 1m 41s
corrected a bug in qp2/plugins/local/tuto_plugins/tuto_I/traces_one_e…
QP Compilation #599: Commit 2037939 pushed by eginer
March 12, 2025 11:29 8m 0s dev-stable
March 12, 2025 11:29 8m 0s
added direct, exchange between extra_basis and usual basis, together …
QP Compilation #598: Commit ffe7a84 pushed by eginer
March 12, 2025 11:25 7m 56s dev-stable
March 12, 2025 11:25 7m 56s
modified fit_1s_basis.irp.f
QP Compilation #597: Commit a9a91f5 pushed by eginer
March 11, 2025 22:52 8m 9s dev-stable
March 11, 2025 22:52 8m 9s
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 in…
QP Compilation #596: Commit 8770bf2 pushed by eginer
March 11, 2025 17:37 8m 14s dev-stable
March 11, 2025 17:37 8m 14s
Change for Powell in geom_opt
QP Compilation #595: Commit 69d5811 pushed by scemama
March 7, 2025 14:55 8m 2s dev-stable
March 7, 2025 14:55 8m 2s
Fix irpf90
QP Compilation #594: Commit fa75be0 pushed by scemama
March 6, 2025 17:45 7m 56s dev-stable
March 6, 2025 17:45 7m 56s
Update irpf90
QP Compilation #593: Commit 7d94095 pushed by scemama
March 6, 2025 17:36 1m 42s dev-stable
March 6, 2025 17:36 1m 42s
Added average mu(r) with rho^2
QP Compilation #592: Commit 61ddf14 pushed by scemama
March 4, 2025 15:03 7s dev-stable
March 4, 2025 15:03 7s
Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-s…
QP Compilation #591: Commit bf7734d pushed by scemama
February 28, 2025 10:42 7m 56s dev-stable
February 28, 2025 10:42 7m 56s
1/sqrt(2) in basis correction proj
QP Compilation #590: Commit db48267 pushed by scemama
February 27, 2025 12:08 8m 4s dev-stable
February 27, 2025 12:08 8m 4s
Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-s…
QP Compilation #589: Commit 7773fca pushed by scemama
February 26, 2025 14:27 8m 8s dev-stable
February 26, 2025 14:27 8m 8s
increase hard coded max rank of cholesky for ao_two_e_int
QP Compilation #588: Commit cbad838 pushed by antoine-marie
February 25, 2025 15:06 8m 23s dev-stable
February 25, 2025 15:06 8m 23s
Added del orbs in reorder_casscf
QP Compilation #587: Commit d20ac13 pushed by scemama
February 18, 2025 10:55 8m 10s dev-stable
February 18, 2025 10:55 8m 10s
Fixed 9a840ae
QP Compilation #586: Commit 7738a8a pushed by scemama
February 14, 2025 11:42 8m 11s dev-stable
February 14, 2025 11:42 8m 11s
Forgot EZFIO.cfg in ezfio_files
QP Compilation #585: Commit ed47408 pushed by scemama
February 14, 2025 10:26 8m 10s dev-stable
February 14, 2025 10:26 8m 10s
Merge branch 'dev-stable' into trexio-convention
QP Compilation #584: Commit 9a840ae pushed by scemama
February 14, 2025 10:21 1m 34s dev-stable
February 14, 2025 10:21 1m 34s
Simplified hij_cache in pt2
QP Compilation #583: Commit bce68e7 pushed by scemama
February 13, 2025 15:06 8m 12s dev-stable
February 13, 2025 15:06 8m 12s
Add possibility of single precision cholesky vectors
QP Compilation #582: Commit 96e2783 pushed by scemama
February 13, 2025 14:05 8m 18s dev-stable
February 13, 2025 14:05 8m 18s
Accelerated PT2-cholesky with dgemm
QP Compilation #581: Commit 70ad9f3 pushed by scemama
February 13, 2025 10:59 8m 17s dev-stable
February 13, 2025 10:59 8m 17s
Introduced qp_bug.irp.f
QP Compilation #580: Commit eb6e1d4 pushed by scemama
February 13, 2025 09:48 8m 11s dev-stable
February 13, 2025 09:48 8m 11s
Fixing previous commit
QP Compilation #579: Commit 4a8551b pushed by scemama
February 12, 2025 12:26 8m 19s dev-stable
February 12, 2025 12:26 8m 19s
Added 1 to unsigned shift to avoid zero index
QP Compilation #578: Commit 74d5637 pushed by scemama
February 12, 2025 11:03 7m 44s dev-stable
February 12, 2025 11:03 7m 44s
Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-s…
QP Compilation #577: Commit ecfcd1c pushed by scemama
February 11, 2025 09:55 8m 6s dev-stable
February 11, 2025 09:55 8m 6s
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 in…
QP Compilation #576: Commit fcf8898 pushed by eginer
February 7, 2025 17:39 8m 9s dev-stable
February 7, 2025 17:39 8m 9s