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deepmodeling / DeePTB Public

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Fork 24
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Accond#251

Open

QG-phy wants to merge 16 commits intodeepmodeling:maindeepmodeling/DeePTB:mainfrom

QG-phy:accondQG-phy/DeePTB:accondCopy head branch name to clipboard

Conversation Commits16 (16)Checks Files changed

Open

Accond#251
QG-phy wants to merge 16 commits intodeepmodeling:mainfrom
QG-phy:accond

Commits

Commits on Jul 10, 2024

add files for cal cond
QG-phy
committed

Commits on Jul 23, 2024

update install and ac_cond.f90
QG-phy
committed
add version in init
QG-phy
committed
add install cmake in dockerfile
QG-phy
committed
update readme for new installation options.
QG-phy
committed

Commits on Jul 24, 2024

add optical module
QG-phy
committed
update compile options for fortran
QG-phy
committed
update optical cond
QG-phy
committed
update
QG-phy
committed
ad argcheck for accond, fix bug in run.py and refactor in optical_cond.py
QG-phy
committed

Commits on Jul 25, 2024

chore: Update CMakeLists.txt to support Intel compilers and OpenMP
QG-phy
committed
update readme
QG-phy
committed

Commits on Jul 26, 2024

update the compile Flags in Cmakelist.
QG-phy
committed
fix bugs in argcheck of valence_e and the bug for add scissor correction.
QG-phy
committed
add scipy to diag. for the internal error of Intel MKL ERROR: Parameter 10 was incorrect on entry to CSTEDC.
QG-phy
committed
update diag
QG-phy
committed

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