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Commits on Oct 25, 2024

• Fixed small bug with pointer swapping in Langevin piston integrator

  jeg7

  committed
  52b6024

• Overhauled CudaContainer and DeviceVector class (and associated API calls), overhauled integrator classes, Langevin Piston integrator is deterministic

  jeg7

  committed
  86a96c8

Commits on Jul 24, 2024

• Integrator is NOT deterministic

  jeg7

  committed
  d42df5a

• Langevin Piston integrator is now deterministic

  jeg7

  committed
  d373494

• Updated CudaContainer copy and move constructors to preserve state of host and device memory independently

  jeg7

  committed
  f225afa

Commits on Jul 23, 2024

• after merge

  samarjeet

  committed
  76a9508

• wip diff stuff

  samarjeet

  committed
  e9b83b8

• WIP debugging langevinPiston integrator

  jeg7

  committed
  266c6b7

• Fixed DeviceVector and CudaContainer memory issues

  jeg7

  committed
  7cbbdba

Commits on May 30, 2024

• a few diff changes, few WIPs

  samarjeet

  committed
  c355802

Commits on Apr 10, 2024

• towards bug fixes in NoseHover and adding shake constraints in mini

  samarjeet

  committed
  2433319

Commits on Apr 5, 2024

• fixing unittests

  samarjeet

  committed
  bc752e2

Commits on Apr 3, 2024

• fm tests pass

  samarjeet

  committed
  a2825cd

• Merge branch 'dev'

  jeg7

  committed
  bccee3b

• Working on restart subscriber

  jeg7

  committed
  4741b6b

• towards consph

  samarjeet

  committed
  4d7a0f5

• fixed c++20 module conflict

  samarjeet

  committed
  cccb0cf

Commits on Apr 2, 2024

• Conclude merge after restart file addition

  jeg7

  committed
  641f7d1

• Added deterministic restarting

  jeg7

  committed
  0bb6ec7

Commits on Mar 30, 2024

• submod https, some cleanups, checkpoint start

  samarjeet

  committed
  0ecfcf2

Commits on Mar 26, 2024

• added repd for s values in eds

  samarjeet

  committed
  0597496

Commits on Mar 22, 2024

• eds constant ph; replica exchange

  samarjeet

  committed
  1c705f9

Commits on Mar 20, 2024

• some cleanup

  samarjeet

  committed
  e364b91

• dcd format fix

  samarjeet

  committed
  a2c4212

Commits on Mar 19, 2024

• Update README.md

  samarjeet

  authored
  f8b6b9c

• a bad fix for frameinterval

  samarjeet

  committed
  ab862bc

Commits on Mar 17, 2024

• moved catch.hpp to unittest

  samarjeet

  committed
  cb1da43

• prepping for a public version

  samarjeet

  committed
  e6dbf15

• fixing readme

  samarjeet

  committed
  baf1f66

• removed copy of test in test

  samarjeet

  committed
  231f822

• adding subm

  samarjeet

  committed
  927a1ee

• testing commit in new rep

  samarjeet

  committed
  80cb0c8