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Loss of precision in Python about trexio HOT 3 CLOSED

trex-coe avatar trex-coe commented on August 11, 2024
Loss of precision in Python

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Comments (3)

scemama avatar scemama commented on August 11, 2024

Note: When I read the value in C, it is correct.

#include <trexio.h>
#include <stdio.h>

int main() {
  trexio_exit_code rc;
  trexio_t* trexio_file = trexio_open("h2o_dz.h5", 'r', TREXIO_AUTO, &rc);

  double rep;
  rc = trexio_read_nucleus_repulsion(trexio_file, &rep);                                     
  printf("%25.20f\n", rep);
}
$ ./a.out
   9.18953375861448762407

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q-posev avatar q-posev commented on August 11, 2024

@scemama You can try to replace the following line with the following %apply double *OUTPUT { double* const num}; and re-install the Python API

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scemama avatar scemama commented on August 11, 2024

Thanks! It works! :-)

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