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Merge pull request #113 from TREX-CoE/preprocessor

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made unique_rank a preprocessor variable
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Anthony Scemama 2023-03-26 13:55:52 +02:00 committed by GitHub
commit bd7374ebe3
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1 changed files with 12 additions and 10 deletions
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src/templates_front/templator_front.org
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@ -3327,7 +3327,7 @@ trexio_read_$group_dset$(trexio_t* const file,
/* To be set by generator : number of unique dimensions /* To be set by generator : number of unique dimensions
(e.g. 1 for ERI in AO basis because only ao_num is present in the list of dimensions) */ (e.g. 1 for ERI in AO basis because only ao_num is present in the list of dimensions) */
const uint32_t unique_rank = $group_dset_unique_rank$; #define unique_rank $group_dset_unique_rank$
int64_t unique_dims[$group_dset_unique_rank$]; int64_t unique_dims[$group_dset_unique_rank$];
// Below part is populated by the generator when unique_rank > 1 // Below part is populated by the generator when unique_rank > 1
@ -3335,11 +3335,12 @@ trexio_read_$group_dset$(trexio_t* const file,
/* Find the maximal value along all dimensions to define the compression technique in the back end */ /* Find the maximal value along all dimensions to define the compression technique in the back end */
int64_t max_dim = unique_dims[0]; int64_t max_dim = unique_dims[0];
if (unique_rank != 1) { #if (unique_rank != 1)
for (uint32_t i = 1; i < unique_rank; i++) { for (uint32_t i = 1; i < unique_rank; i++) {
if (unique_dims[i] > max_dim) max_dim = unique_dims[i]; if (unique_dims[i] > max_dim) max_dim = unique_dims[i];
} }
} #endif
#undef unique_rank
// introduce a new variable which will be modified with the number of integrals being read if EOF is encountered // introduce a new variable which will be modified with the number of integrals being read if EOF is encountered
int64_t eof_read_size = 0L; int64_t eof_read_size = 0L;
@ -3459,7 +3460,7 @@ trexio_write_$group_dset$(trexio_t* const file,
/* To be set by generator : number of unique dimensions /* To be set by generator : number of unique dimensions
(e.g. 1 for ERI in AO basis because only ao_num is present in the list of dimensions) */ (e.g. 1 for ERI in AO basis because only ao_num is present in the list of dimensions) */
const uint32_t unique_rank = $group_dset_unique_rank$; #define unique_rank $group_dset_unique_rank$
int64_t unique_dims[$group_dset_unique_rank$]; int64_t unique_dims[$group_dset_unique_rank$];
// Below part is populated by the generator when unique_rank > 1 // Below part is populated by the generator when unique_rank > 1
@ -3467,11 +3468,12 @@ trexio_write_$group_dset$(trexio_t* const file,
/* Find the maximal value along all dimensions to define the compression technique in the back end */ /* Find the maximal value along all dimensions to define the compression technique in the back end */
int64_t max_dim = unique_dims[0]; int64_t max_dim = unique_dims[0];
if (unique_rank != 1) { #if (unique_rank != 1)
for (uint32_t i = 1; i < unique_rank; i++) { for (uint32_t i = 1; i < unique_rank; i++) {
if (unique_dims[i] > max_dim) max_dim = unique_dims[i]; if (unique_dims[i] > max_dim) max_dim = unique_dims[i];
} }
} #endif
#undef unique_rank
// shift indices to be zero-based if Fortran API is used // shift indices to be zero-based if Fortran API is used
if (file->one_based) { if (file->one_based) {