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Commits on Jul 12, 2024

• Fix indentation

  anbenali

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Commits on Jul 11, 2024

• Fixing dependencies in nexus to match PyscfToQmcpack.py

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• Fixing tests

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• Fixing PyscfToQmcpack.py for NSCF kpts in the mf function

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Commits on Oct 17, 2023

• Step 1 in specializing and batching evalutions of AO functions for VirtualParticles

  

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Commits on Sep 16, 2023

• Specialization of VirtualParticle function for the MO evaluation using Batch

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Commits on May 9, 2023

• Fixing multideterminant HDF5 file to unsigned 64 bit integers

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Commits on Jul 27, 2022

• Adding documentation for limiting the number of submitted jobs to a queue in Nexus

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Commits on Apr 1, 2022

• Fixing timers

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Commits on Mar 31, 2022

• Removing lapls and grads from dual view and freeing GPU memory

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• Significant speedups

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• Timers

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Commits on Mar 28, 2022

• Merge branch 'develop' into MSD-Part4_Clean

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• Final push. All tests passing. Formating Correct

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• MultiDiracDeterminant.2.cpp

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Commits on Mar 27, 2022

• All tests passing

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  committed
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• All Tests passing

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  committed
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• mw_evalGrad passing test despite strange loops for TpsiM

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  committed
  f7b012d

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• Bug found in omp::BLAScopy and ger

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  committed
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• Inlinining Inverse

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  1289891

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• Fixing BuildDotProduct and all tests passing

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• All deterministic tests pass

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  committed
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Commits on Mar 17, 2022

• Reverting to calling BLAS instead of ompBLAS to avoid conflicts

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Commits on Mar 16, 2022

• Missing implementation of ompBLAS:gemv_batched with N argument for transpose

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• Fixing types

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• Offload of Sherman-Morrison

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Commits on Mar 15, 2022

• Fixing smallMatrixTest

  anbenali

  committed
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• remove printf

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  4fedc64

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• remove printf

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• Merge branch 'develop' into MSD-Offload_Part4

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• Full Offload of BuildDotProductandCalcRatio

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Commits on Mar 14, 2022

• Offloaded BuildDotProductandevalRatio

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Commits on Mar 11, 2022

• more data

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• wrong offset

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Commits on Mar 10, 2022

• change type of paires to facilitate offload

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