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…pass unmerged data to output stat
…nference to common.h/.cc. fix bugs in DataModifier, EwaldRecp, DeepPot and DeepEval.
…add unit test for shuffled data modifier
…ge. make the freeze and test work
njzjz
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Jan 26, 2024
Fix the following compiler warning: ``` /home/runner/work/deepmd-kit/deepmd-kit/source/api_c/src/c_api.cc:1336:17: warning: returning address of local temporary object [-Wreturn-stack-address] return (int*)&(dcm->dcm.sel_types())[0]; ^~~~~~~~~~~~~~~~~~~~~~ 1 warning generated. ``` by returning the reference of sel_type. It seems this function is not used anywhere, even in the test, so we don't have an chance to find out if there is possible segfault. (so this warning has no impact) It seems DeepTensor has returned a reference since the beginning (deepmodeling#137). (perhaps because DeepTensor.sel_types is actually used) DeepTensor and DataChargeModifier have different returned types.
wanghan-iapcm
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Jan 27, 2024
Fix the following compiler warning: ``` /home/runner/work/deepmd-kit/deepmd-kit/source/api_c/src/c_api.cc:1336:17: warning: returning address of local temporary object [-Wreturn-stack-address] return (int*)&(dcm->dcm.sel_types())[0]; ^~~~~~~~~~~~~~~~~~~~~~ 1 warning generated. ``` by returning the reference of `sel_type`. `DataChargeModifier.sel_types` is not used anywhere, even in the test, so we don't have a chance to determine if there is a possible segfault, and this warning has no actual impact. It seems `DeepTensor` has returned a reference since the beginning (#137). (perhaps because `DeepTensor.sel_types` is used) `DeepTensor` and `DataChargeModifier` have different returned types.
njzjz
added a commit
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Feb 4, 2024
Fix the following compiler warning: ``` /home/runner/work/deepmd-kit/deepmd-kit/source/api_c/src/c_api.cc:1336:17: warning: returning address of local temporary object [-Wreturn-stack-address] return (int*)&(dcm->dcm.sel_types())[0]; ^~~~~~~~~~~~~~~~~~~~~~ 1 warning generated. ``` by returning the reference of `sel_type`. `DataChargeModifier.sel_types` is not used anywhere, even in the test, so we don't have a chance to determine if there is a possible segfault, and this warning has no actual impact. It seems `DeepTensor` has returned a reference since the beginning (deepmodeling#137). (perhaps because `DeepTensor.sel_types` is used) `DeepTensor` and `DataChargeModifier` have different returned types. (cherry picked from commit f900f3a)
wanghan-iapcm
pushed a commit
that referenced
this pull request
Feb 4, 2024
Fix the following compiler warning: ``` /home/runner/work/deepmd-kit/deepmd-kit/source/api_c/src/c_api.cc:1336:17: warning: returning address of local temporary object [-Wreturn-stack-address] return (int*)&(dcm->dcm.sel_types())[0]; ^~~~~~~~~~~~~~~~~~~~~~ 1 warning generated. ``` by returning the reference of `sel_type`. `DataChargeModifier.sel_types` is not used anywhere, even in the test, so we don't have a chance to determine if there is a possible segfault, and this warning has no actual impact. It seems `DeepTensor` has returned a reference since the beginning (#137). (perhaps because `DeepTensor.sel_types` is used) `DeepTensor` and `DataChargeModifier` have different returned types. (cherry picked from commit f900f3a)
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