update soc class for non-local pseudopotential initial#3
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mohanchen merged 1 commit intodeepmodeling:masterfrom Apr 22, 2021
Merged
update soc class for non-local pseudopotential initial#3mohanchen merged 1 commit intodeepmodeling:masterfrom
mohanchen merged 1 commit intodeepmodeling:masterfrom
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Aug 15, 2024
* Fix C++ compiler warning * Refactor Exx_LRI::cal_exx_stress() to LibRI loop3 * Feature: add input and info CV_grad_R_threshold for exx * Delete exx_lri.set_csm_threshold() * Update LibRI in toolchain to v0.2.0 * Update submodule deps/LibRI to v0.2.0 * fix include * change ref in integrate_test * change ref in integrate_test * change ref results for no cauchy screening (#3) --------- Co-authored-by: LUNASEA <33978601+maki49@users.noreply.github.com>
This was referenced Oct 7, 2024
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Test : pull request to deepmodeling folk