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Commits on Jul 2, 2024

• Clean up code

  mewall

  committed
  1ade24a

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• Reduce memory access in vectorization

  mewall

  committed
  c5744a0

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• Working vectorized hamiltonian derivative

  mewall

  committed
  13ce3da

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• Working on hamiltonian derivative vectorization

  mewall

  committed
  fafc12e

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• Add vectorized H and S construction

  mewall

  committed
  85c0d00

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• Clean up get_SKBlock in preparation for vectorization

  mewall

  committed
  d610afc

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Commits on May 29, 2024

• Cleanup debug line

  cnegre

  committed
  cdef19e

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• Removed debug statement

  cnegre

  committed
  dc55da2

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• Fixes to have GPMD as a lib

  cnegre

  committed
  d1be76a

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Commits on Apr 29, 2024

• Remove potential memory contention in prg_canon_response_p1_dpdmu()

  

  mewall

  authored and

  nicolasbock

  committed
  a3ac1d8

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Commits on Apr 18, 2024

• Fix potential bug

  

  mewall

  authored and

  cnegre

  committed
  a05ed68

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• Finish replacing matrices with vectors in Ewald real vectorized

  

  mewall

  authored and

  cnegre

  committed
  f135398

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• Replacing matrices with vectors in Ewald real vectorized

  

  mewall

  authored and

  cnegre

  committed
  80abb80

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Commits on Apr 11, 2024

• Remove the slower calculation from vectorized Coulomb real

  

  mewall

  authored and

  cnegre

  committed
  d4cd4bd

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• Vectorized Coulomb potentials are correct

  

  mewall

  authored and

  cnegre

  committed
  d09d418

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• Vectorized Coulomb real forces are correct

  

  mewall

  authored and

  cnegre

  committed
  a795353

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• Ewald real vectorization (in progress)

  Show description for 0adbf75
  

  mewall

  authored and

  cnegre

  committed
  0adbf75

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• GPU performance optimizations

  

  mewall

  authored and

  cnegre

  committed
  fee2dc5

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Commits on Mar 19, 2024

• Fix bug in graph mod

  

  mewall

  authored and

  nicolasbock

  committed
  8ff7c69

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Commits on Jan 4, 2024

• Apply gnu specific flag only when gnu compiler

  jeanlucf22

  committed
  e81e88d

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Commits on Dec 12, 2023

• Fix number of columns in 3d bio benchmark

  jeanlucf22

  committed
  360a95d

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Commits on Dec 11, 2023

• Make C-interface a build time option

  jeanlucf22

  committed
  4af28a0

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Commits on Dec 4, 2023

• Use matrix sparsity in 3d bio benchmark

  jeanlucf22

  committed
  746578f

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Commits on Nov 30, 2023

• Modifications for Cray build

  Show description for 990f74e
  

  mewall

  authored and

  jeanlucf22

  committed
  990f74e

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Commits on Nov 28, 2023

• Fix a few things n 3d benchmark

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  jeanlucf22

  committed
  2bb1c93

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• Add requirements.txt

  Show description for ca1848c
  

  nicolasbock

  authored and

  jeanlucf22

  committed
  ca1848c

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Commits on Nov 22, 2023

• Add 3d bio benchmark

  jeanlucf22

  committed
  a6d0b13

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• Add dmconstruction3d benchmark

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  jeanlucf22

  committed
  11c9d73

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Commits on Oct 4, 2023

• C interface for genz module

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  ares201005

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  jeanlucf22

  committed
  d4ac739

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Commits on Sep 22, 2023

• Change wording of CI jobs

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  nicolasbock

  committed
  6c3b0f6

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• Pass address to Fortran code in order to get updated value of drho

  

  ares201005

  authored and

  nicolasbock

  committed
  688c9b6

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• Fix abs function

  Show description for e2827b6
  

  jeanlucf22

  authored and

  nicolasbock

  committed
  e2827b6

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• Deprecate Bionic image

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  nicolasbock

  committed
  00d5f52

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• Version bump to v1.3.0

  Show description for 1ef3269
  nicolasbock

  committed
  1ef3269

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Commits on Sep 20, 2023

• Do not redefine release/debug compile flags

  

  jeanlucf22

  authored and

  cnegre

  committed
  081f581

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