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yilinyang1 / NN-ensemble-relaxer

Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble
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Installation problem #5

Closed haipronl closed 1 year ago

haipronl commented 1 year ago

Hello,

I used the script "python libsymf_builder.py". However, I got this problem.

generating ./_libsymf.cpp (already up-to-date) the current directory is '/home/users/hai/soft/NN_ensemble_relaxer/utils' calculate_sf.cpp: In function ‘int calculate_sf(double, double, double, int, int, int, int, int, double, int, double, double**)’: calculate_sf.cpp:36:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] for (int i=0; i < sizeof(IMPLEMENTED_TYPE) / sizeof(IMPLEMENTED_TYPE[0]); i++) { ^~~~~~~~~~~~~~

Could you please take a look at it?

Thank you.

yilinyang1 commented 1 year ago

Hi, this is a warning and should not affect the actual building. Also, I've update the code to solve this warning. You can try it again. Thanks!