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Some printing of timing and ESP charges were improved MPI Build #909: Commit 2600244 pushed by vtripath65
October 20, 2024 01:07 10s oeproperties-dev
oeproperties-dev
October 20, 2024 01:07 10s
issue related to MPI with the vanderwaals surface is fixed. Some extr… MPI Build #908: Commit 8cb5753 pushed by vtripath65
October 18, 2024 21:16 12s oeproperties-dev
oeproperties-dev
October 18, 2024 21:16 12s
moved the call to esp charge computation routine outside compute_esp MPI Build #907: Commit 7bddf53 pushed by vtripath65
October 12, 2024 04:44 9s oeproperties-dev
oeproperties-dev
October 12, 2024 04:44 9s
cleaned up the ESP printing subroutine MPI Build #906: Commit 1b3ed7a pushed by vtripath65
October 9, 2024 00:00 11s oeproperties-dev
oeproperties-dev
October 9, 2024 00:00 11s
HIP and MPI+HIP updates MPI Build #905: Pull request #361 synchronize by ohearnk
October 3, 2024 16:54 13s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
October 3, 2024 16:54 13s
missed file from previous commit MPI Build #904: Commit 25f670a pushed by vtripath65
October 3, 2024 03:43 11s oeproperties-dev
oeproperties-dev
October 3, 2024 03:43 11s
ESP charges using external grid is now implemented MPI Build #903: Commit ac6cea1 pushed by vtripath65
October 3, 2024 03:19 15s oeproperties-dev
oeproperties-dev
October 3, 2024 03:19 15s
HIP and MPI+HIP updates MPI Build #902: Pull request #361 synchronize by ohearnk
October 2, 2024 19:16 13s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
October 2, 2024 19:16 13s
HIP and MPI+HIP updates MPI Build #901: Pull request #361 synchronize by ohearnk
October 2, 2024 17:58 12s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
October 2, 2024 17:58 12s
Update Github CI workflows for CPU builds and tests MPI Build #900: Pull request #380 synchronize by ohearnk
October 2, 2024 16:40 25m 5s ohearnk:github-tests-workflow-action-artifact-updates
ohearnk:github-tests-workflow-action-artifact-updates
October 2, 2024 16:40 25m 5s
Update Github CI workflows for CPU builds and tests MPI Build #899: Pull request #380 opened by ohearnk
October 2, 2024 16:38 25m 9s ohearnk:github-tests-workflow-action-artifact-updates
ohearnk:github-tests-workflow-action-artifact-updates
October 2, 2024 16:38 25m 9s
timer added for ESP charge calculation MPI Build #898: Commit 6682f64 pushed by vtripath65
September 25, 2024 02:42 12s oeproperties-dev
oeproperties-dev
September 25, 2024 02:42 12s
Linear fit for ESP charges MPI Build #897: Commit c754411 pushed by vtripath65
September 25, 2024 02:18 11s oeproperties-dev
oeproperties-dev
September 25, 2024 02:18 11s
HIP and MPI+HIP updates MPI Build #896: Pull request #361 synchronize by ohearnk
September 19, 2024 15:36 10s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
September 19, 2024 15:36 10s
HIP and MPI+HIP updates MPI Build #895: Pull request #361 synchronize by ohearnk
September 19, 2024 04:09 12s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
September 19, 2024 04:09 12s
CUDA-MPI and UHF for ESP calculation works MPI Build #894: Commit 3a7caf8 pushed by vtripath65
September 4, 2024 23:21 24m 59s oeproperties-dev
oeproperties-dev
September 4, 2024 23:21 24m 59s
HIP and MPI+HIP updates MPI Build #893: Pull request #361 synchronize by ohearnk
August 30, 2024 22:17 24m 56s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 30, 2024 22:17 24m 56s
HIP and MPI+HIP updates MPI Build #892: Pull request #361 synchronize by ohearnk
August 30, 2024 22:16 23m 58s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 30, 2024 22:16 23m 58s
HIP and MPI+HIP updates MPI Build #891: Pull request #361 synchronize by ohearnk
August 23, 2024 01:57 26m 17s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 23, 2024 01:57 26m 17s
HIP and MPI+HIP updates MPI Build #890: Pull request #361 synchronize by ohearnk
August 22, 2024 23:25 24m 47s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 22, 2024 23:25 24m 47s
HIP and MPI+HIP updates MPI Build #889: Pull request #361 synchronize by ohearnk
August 22, 2024 18:19 25m 4s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 22, 2024 18:19 25m 4s
HIP and MPI+HIP updates MPI Build #888: Pull request #361 synchronize by ohearnk
August 22, 2024 16:25 25m 25s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 22, 2024 16:25 25m 25s
HIP and MPI+HIP updates MPI Build #887: Pull request #361 synchronize by ohearnk
August 21, 2024 22:39 25m 17s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 21, 2024 22:39 25m 17s
HIP and MPI+HIP updates MPI Build #886: Pull request #361 synchronize by ohearnk
August 21, 2024 18:04 25m 10s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 21, 2024 18:04 25m 10s
HIP and MPI+HIP updates MPI Build #885: Pull request #361 synchronize by ohearnk
August 20, 2024 19:44 25m 28s ohearnk:hip-f-func-porting
ohearnk:hip-f-func-porting
August 20, 2024 19:44 25m 28s