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Added provider to repulsion in e_pot. #41

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v1j4y 2021-10-13 18:13:13 +02:00
parent ca61af7a3d
commit a6e625016c
1 changed files with 8 additions and 0 deletions
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org/qmckl_local_energy.org
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@ -841,6 +841,14 @@ qmckl_exit_code qmckl_provide_potential_energy(qmckl_context context) {
NULL); NULL);
} }
rc = qmckl_provide_nucleus_repulsion(ctx);
if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context,
QMCKL_NOT_PROVIDED,
"qmckl_nucleus_repulsion",
NULL);
}
rc = qmckl_provide_en_potential(ctx); rc = qmckl_provide_en_potential(ctx);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, return qmckl_failwith( context,