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NVHPC
Merge requests

Open 1
Merged 22
Closed 0
All 23

Add GROMACS example scripts

ngc-examples!1 · created Oct 10, 2018 by Wozard
- MERGED
- 1 left
- 0
updated Oct 10, 2018
adding qmcpack example scripts

ngc-examples!2 · created Oct 17, 2018 by Adam Guymon
- MERGED
- Approved
- 0
updated Oct 23, 2018
Qmcpack examples

ngc-examples!3 · created Oct 24, 2018 by Adam Guymon
- MERGED
- Approved
- 0
updated Oct 26, 2018
Changing downloader

ngc-examples!4 · created Oct 26, 2018 by Adam Guymon
- MERGED
- Approved
- 0
updated Oct 28, 2018
moved untar to downloader and fixed docker

ngc-examples!5 · created Oct 29, 2018 by Adam Guymon
- MERGED
- Approved
- 0
updated Oct 29, 2018
Qmcpack examples

ngc-examples!6 · created Oct 31, 2018 by Adam Guymon
- MERGED
- Approved
- 0
updated Oct 31, 2018
fixing file path for downloader

ngc-examples!7 · created Nov 01, 2018 by Adam Guymon
- MERGED
- 1 left
- 0
updated Nov 02, 2018
fixing singularity single node

ngc-examples!8 · created Nov 08, 2018 by Adam Guymon
- MERGED
- 1 left
- 0
updated Nov 20, 2018
Gromacs examples

ngc-examples!9 · created Nov 20, 2018 by Wozard
- MERGED
- 1 left
- 2
updated Nov 21, 2018
update lammps

ngc-examples!10 · created Nov 11, 2020 by Adam Simpson US
- MERGED
- 0
updated Nov 11, 2020
rename lammps slurm example

ngc-examples!11 · created Nov 23, 2020 by Adam Simpson US
- MERGED
- 0
updated Nov 23, 2020
Autodock- check.py

ngc-examples!12 · created Dec 01, 2020 by Jillian David
- MERGED
- Approved
- 0
updated Dec 01, 2020
hard-code kpoints

ngc-examples!13 · created Jan 05, 2021 by Adam Simpson US
- MERGED
- 1 left
- 0
updated Jan 05, 2021
Qe name

ngc-examples!14 · created Jan 07, 2021 by Adam Simpson US
- MERGED
- 1 left
- 0
updated Jan 07, 2021
bump qe to 6.7

ngc-examples!15 · created Feb 17, 2021 by Adam Simpson US
- MERGED
- 1 left
- 0
updated Feb 17, 2021
TorchANI/master examples for GTC-2021

ngc-examples!17 · created Mar 16, 2021 by Jillian David
- MERGED
- Approved
- 0
updated Mar 16, 2021
Draft: Update NAMD example

ngc-examples!18 · created Sep 07, 2021 by Jillian David
- 1 left
- 0
updated Sep 07, 2021
Update README.md

nventry!1 · created Mar 29, 2022 by Adam Simpson US
- MERGED
- 0
updated Mar 29, 2022
LBPM/10.13.2020 examples for GTC2021

ngc-examples!16 · created Feb 18, 2021 by Jillian David
- MERGED
- Approved
- 0
updated Aug 18, 2022
Update LBPM/single-node/run.sh

ngc-examples!19 · created Aug 18, 2022 by Adam Simpson US
- MERGED
- Approved
- 0
updated Aug 18, 2022

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