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Fixed size_t to int64_t. #22

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This commit is contained in:
vijay gopal chilkuri 2021-07-08 10:28:15 +05:30
parent cf9c3c0e3d
commit 751d918147
1 changed files with 5 additions and 5 deletions
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org/qmckl_jastrow.org
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@ -1132,15 +1132,15 @@ assert(!qmckl_nucleus_provided(context));
rc = qmckl_get_nucleus_coord (context, 'N', nucl_coord2);
assert(rc == QMCKL_SUCCESS);
for (size_t k=0 ; k<3 ; ++k) {
for (size_t i=0 ; i<nucl_num ; ++i) {
for (int64_t k=0 ; k<3 ; ++k) {
for (int64_t i=0 ; i<nucl_num ; ++i) {
assert( nucl_coord[nucl_num*k+i] == nucl_coord2[3*i+k] );
}
}
rc = qmckl_get_nucleus_coord (context, 'T', nucl_coord2);
assert(rc == QMCKL_SUCCESS);
for (size_t i=0 ; i<3*nucl_num ; ++i) {
for (int64_t i=0 ; i<3*nucl_num ; ++i) {
assert( nucl_coord[i] == nucl_coord2[i] );
}
@ -1154,7 +1154,7 @@ assert(rc == QMCKL_SUCCESS);
rc = qmckl_get_nucleus_charge(context, nucl_charge2);
assert(rc == QMCKL_SUCCESS);
for (size_t i=0 ; i<nucl_num ; ++i) {
for (int64_t i=0 ; i<nucl_num ; ++i) {
assert( nucl_charge[i] == nucl_charge2[i] );
}
assert(qmckl_nucleus_provided(context));
@ -3594,7 +3594,7 @@ qmckl_exit_code qmckl_provide_een_rescaled_n(qmckl_context context)
| int64_t | nucl_num | in | Number of atoms |
| int64_t | cord_num | in | Order of polynomials |
| double | rescale_factor_kappa_en | in | Factor to rescale ee distances |
| double | en_distance[walk_num][elec_num][nucl_num] | in | Electron-nucleus distances |
| double | en_distance[walk_num][elec_num][nucl_num] | in | Electron-nucleus distances |
| double | een_rescaled_n[walk_num][elec_num][nucl_num][0:cord_num] | out | Electron-nucleus rescaled distances |
#+begin_src f90 :comments org :tangle (eval f) :noweb yes