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Commits on Jun 27, 2024

• Fix: address memory leak with single precision (deepmodeling#4492)

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  pre-commit-ci-lite[bot]

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Commits on May 25, 2024

• address the atomicAdd error (deepmodeling#4234)

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Commits on May 23, 2024

• Fix: address single precision error of dcu (deepmodeling#4201)

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Commits on May 22, 2024

• Refactor: optimize cast_memory_op (deepmodeling#4160)

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  mohanchen

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Commits on May 14, 2024

• fix intel compiler warnings (deepmodeling#4166)

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Commits on May 13, 2024

• reduce peak device memory usage of psi's constructor (deepmodeling#4154)

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Commits on May 7, 2024

• add device error check for device::get_device_num function (deepmodeling#4106)

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Commits on May 6, 2024

• fix dcu cmake compilation error (deepmodeling#4097)

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Commits on Feb 3, 2024

• Compile: Address compilation warnings in clang compiler (deepmodeling#3593)

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Commits on Feb 1, 2024

• add rocm error check (deepmodeling#3585)

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Commits on Jan 31, 2024

• CUDA: Add device error check for CUDA API and device function (deepmodeling#3575)

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Commits on Jan 22, 2024

• output the default precision flag (deepmodeling#3496)

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Commits on Jan 13, 2024

• fix single precision md bug (deepmodeling#3481)

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  Qianruipku

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• remove backward-cpp tools (deepmodeling#3480)

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• Feature: Add rocm implementation for mgga (deepmodeling#3479)

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Commits on Jan 12, 2024

• Feature: Add CUDA support for stress_mgga function (deepmodeling#3474)

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Commits on Dec 8, 2023

• Refactor: refactor cg interface (deepmodeling#3293)

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Commits on Dec 3, 2023

• Feature: add float_fftw error message (deepmodeling#3287)

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Commits on Dec 2, 2023

• Fix cuda and rocm bugs (deepmodeling#3286)

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Commits on Nov 14, 2023

• Doc: add doc introductions for input/precision flag (deepmodeling#3176)

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Commits on Nov 10, 2023

• fix GPU ut error (deepmodeling#3186)

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Commits on Nov 9, 2023

• fix icpx compilation warnings within wf_atomic.cpp (deepmodeling#3185)

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Commits on Nov 8, 2023

• fix gpu compiler warnings (deepmodeling#3172)

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• Feature: Enhance container tensor object (deepmodeling#3171)

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Commits on Nov 2, 2023

• Feature: output the hardware information in both the command line and the running_scf log (deepmodeling#3127)

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Commits on Oct 20, 2023

• Doc&Test: Enhance bpcg method (deepmodeling#3075)

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Commits on Sep 25, 2023

• Feature&Fix: Reintroduce ROCm Support to ABACUS (deepmodeling#3011)

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Commits on Sep 20, 2023

• Refactor: Use complex type as the template argument for PW calculation (deepmodeling#2965)

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  dyzheng

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Commits on Sep 5, 2023

• Feature: add Block-PCG support for ABACUS based on container::Tensor (deepmodeling#2896)

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Commits on Sep 1, 2023

• Refactor: refactor module_container (deepmodeling#2876)

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  Qianruipku

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Commits on Aug 4, 2023

• add cuda arch 3.5 compilation support for ABACUS (deepmodeling#2794)

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Commits on Jul 4, 2023

• Refactor: Enable the container tensor by default (deepmodeling#2673)

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Commits on Jun 21, 2023

• refactor: restrict flags that do not comply with nvcc requirements to be used in the host compiler. (deepmodeling#2619)

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  mohanchen

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Commits on Jun 16, 2023

• fix: fix error of Tensor::inner_most_ptr function (deepmodeling#2637)

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Commits on Jun 14, 2023

• Refactor: Remove unnecessary template values from module esolver. (deepmodeling#2621)

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