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Fix for 318 add-more-supported-basis-sets MPI Build #758: Pull request #342 synchronize by agoetz
March 16, 2024 11:48 24m 45s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 16, 2024 11:48 24m 45s
AWG - remove duplicate basis set files MPI Build #757: Commit c38e802 pushed by agoetz
March 16, 2024 11:48 24m 55s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 16, 2024 11:48 24m 55s
fixed a bug MPI Build #756: Commit aed6942 pushed by Madu86
March 16, 2024 00:09 25m 14s 326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
March 16, 2024 00:09 25m 14s
Merge pull request #334 from Madu86/333-wrong-d-and-f-mo-coefficient-… MPI Build #755: Commit fd1ccc4 pushed by agoetz
March 15, 2024 19:08 25m 31s master
master
March 15, 2024 19:08 25m 31s
Fix for issue 333 MPI Build #754: Pull request #334 synchronize by agoetz
March 15, 2024 18:12 25m 1s Madu86:333-wrong-d-and-f-mo-coefficient-order-in-quick-generated-molden-files
Madu86:333-wrong-d-and-f-mo-coefficient-order-in-quick-generated-molden-files
March 15, 2024 18:12 25m 1s
Fix for 318 add-more-supported-basis-sets MPI Build #753: Pull request #342 opened by akhilshajan
March 15, 2024 17:34 25m 30s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 15, 2024 17:34 25m 30s
Merge branch '318-add-more-supported-basis-sets' of github.com:merzla… MPI Build #752: Commit 77d1326 pushed by akhilshajan
March 15, 2024 16:50 24m 42s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 15, 2024 16:50 24m 42s
fix the conflicts MPI Build #751: Commit 1901a34 pushed by akhilshajan
March 15, 2024 16:47 24m 57s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 15, 2024 16:47 24m 57s
Merge pull request #341 from merzlab/338-update-opt-tests MPI Build #750: Commit 83ef917 pushed by agoetz
March 15, 2024 11:32 25m 39s master
master
March 15, 2024 11:32 25m 39s
fixed a bug MPI Build #749: Commit 9594f6b pushed by Madu86
March 15, 2024 02:31 25m 20s 326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
March 15, 2024 02:31 25m 20s
Fix for issue 333 MPI Build #748: Pull request #334 synchronize by Madu86
March 14, 2024 23:51 24m 48s Madu86:333-wrong-d-and-f-mo-coefficient-order-in-quick-generated-molden-files
Madu86:333-wrong-d-and-f-mo-coefficient-order-in-quick-generated-molden-files
March 14, 2024 23:51 24m 48s
Merge branch '318-add-more-supported-basis-sets' of github.com:merzla… MPI Build #747: Commit cf147f5 pushed by akhilshajan
March 14, 2024 03:25 25m 41s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 14, 2024 03:25 25m 41s
Fix for 338 update opt tests MPI Build #746: Pull request #341 reopened by akhilshajan
March 14, 2024 03:21 25m 16s 338-update-opt-tests
338-update-opt-tests
March 14, 2024 03:21 25m 16s
Fix for 338 update opt tests MPI Build #745: Pull request #341 opened by akhilshajan
March 14, 2024 03:15 25m 29s 338-update-opt-tests
338-update-opt-tests
March 14, 2024 03:15 25m 29s
Changed the test description to the method that is tested MPI Build #744: Commit 6f26cd6 pushed by akhilshajan
March 14, 2024 03:08 25m 22s 338-update-opt-tests
338-update-opt-tests
March 14, 2024 03:08 25m 22s
addd gradULL pointer into the shared memory MPI Build #743: Commit 9463c97 pushed by Madu86
March 14, 2024 01:02 25m 19s 326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
326-support-for-legacy-atomics-in-cuda-f-gradient-kernels
March 14, 2024 01:02 25m 19s
Added basis set aug-cc-pVTZ, def2-TZVPD, def2-TZVPP, aug-pc-1, pc-2 a… MPI Build #742: Commit 2f6ed04 pushed by akhilshajan
March 13, 2024 14:57 26m 7s 318-add-more-supported-basis-sets
318-add-more-supported-basis-sets
March 13, 2024 14:57 26m 7s
Merge pull request #339 from merzlab/330-add-error-trap-for-uhfudft-w… MPI Build #741: Commit 59ba8e3 pushed by agoetz
March 13, 2024 13:31 25m 24s master
master
March 13, 2024 13:31 25m 24s
Error trap for UHF/UDFT calculations with basis sets containing F functions and CUDA version MPI Build #740: Pull request #339 synchronize by agoetz
March 13, 2024 12:08 25m 23s 330-add-error-trap-for-uhfudft-with-f-functions
330-add-error-trap-for-uhfudft-with-f-functions
March 13, 2024 12:08 25m 23s
AWG: Quit only when GPU + UHF/UDFT + F functions + gradients MPI Build #739: Commit 000ef61 pushed by agoetz
March 13, 2024 12:08 24m 59s 330-add-error-trap-for-uhfudft-with-f-functions
330-add-error-trap-for-uhfudft-with-f-functions
March 13, 2024 12:08 24m 59s
Error trap for UHF/UDFT calculations with basis sets containing F functions and CUDA version MPI Build #738: Pull request #339 synchronize by agoetz
March 13, 2024 09:55 25m 36s 330-add-error-trap-for-uhfudft-with-f-functions
330-add-error-trap-for-uhfudft-with-f-functions
March 13, 2024 09:55 25m 36s
Merge pull request #335 from merzlab/329-add-trap-for-cew-with-f-func… MPI Build #737: Commit 2a0d1e1 pushed by agoetz
March 13, 2024 09:17 25m 13s master
master
March 13, 2024 09:17 25m 13s
Error trap for UHF/UDFT calculations with basis sets containing F functions and CUDA version MPI Build #736: Pull request #339 synchronize by agoetz
March 13, 2024 01:54 25m 25s 330-add-error-trap-for-uhfudft-with-f-functions
330-add-error-trap-for-uhfudft-with-f-functions
March 13, 2024 01:54 25m 25s
MPI Build MPI Build #735: by agoetz
March 13, 2024 01:53 25m 29s 330-add-error-trap-for-uhfudft-with-f-functions
330-add-error-trap-for-uhfudft-with-f-functions
March 13, 2024 01:53 25m 29s
F trap for cEW enabled QM/MM MPI Build #734: Pull request #335 synchronize by agoetz
March 13, 2024 01:45 25m 9s 329-add-trap-for-cew-with-f-functions
329-add-trap-for-cew-with-f-functions
March 13, 2024 01:45 25m 9s