EXC Only Interface #121
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EXC Only Interface #121
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commit 62ac01fab0767f13a7424bcea8a940c92e3aa7e2
Author: David Williams-Young <dbwy@lbl.gov>
Date: Fri May 31 13:36:46 2024 -0700
Fix EXC-only path for host integrators, UTs pass
commit 57f305c39ca4c858d5050c5dfc32c3b1ffab2e82
Merge: 1c844b4 92bbbe2
Author: David Williams-Young <dbwy@lbl.gov>
Date: Fri May 31 12:28:27 2024 -0700
Merge branch 'master' into merge_master
commit 92bbbe2
Author: David Williams-Young <wavefunction91@gmail.com>
Date: Fri May 31 10:50:04 2024 -0700
actions/checkout@v3 -> actions/checkout@v4 (#131)
Bump actions/checkout version to quiet GHA warnings
commit b61ee7a
Author: mikovtun <91164556+mikovtun@users.noreply.github.com>
Date: Fri May 31 10:21:21 2024 -0700
Spellcheck Error Messages (#129)
* Fixed spelling in error messages and homogenized capitalization
* Update include/gauxc/load_balancer.hpp
Co-authored-by: David Williams-Young <wavefunction91@gmail.com>
---------
Co-authored-by: David Williams-Young <wavefunction91@gmail.com>
commit 905c36a
Author: Ajay Panyala <ajay.panyala@gmail.com>
Date: Fri May 31 09:07:08 2024 -0700
cutlass requires cuda CC >= 8.0 (#130)
commit b9c2161
Author: David Williams-Young <dbwy@lbl.gov>
Date: Tue May 21 15:13:43 2024 -0700
Refactor ShellBatched Integrators (#127)
* Refactor of RKS/UKS/GKS Host drivers to reduce code replication + various QoL
* ShellBatched Refactor - Host compiles and tests, device untested
* Fix new ShellBatched for Device, add additional std::future::get to proagate exceptions
* Update copyright year on old files, shellbatched -> shell_batched
* document why the extra std::future::get is there
commit 6a8f4bf
Author: David Williams-Young <dbwy@lbl.gov>
Date: Wed May 8 09:32:51 2024 -0700
Add Runtime Environment Query Functions (#126)
* Add runtime environment query functions
* Update gauxc_config.hpp.in
commit cf6b85c
Author: Ajay Panyala <ajay.panyala@gmail.com>
Date: Tue May 7 09:48:17 2024 -0700
install nccl module file
commit 3e44fcc
Author: David Williams-Young <dbwy@lbl.gov>
Date: Mon May 6 16:01:48 2024 -0700
Make CUTLASS a build-only dependency
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Adds
eval_excto only evaluate EXC for an input density / functional