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Merge pull request #1 from pablooliveira/qmckl_integration

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Fix linking problem against libqmckl
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François Coppens 2021-07-21 13:19:04 +02:00 committed by GitHub
commit 4f29412bbb
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1 changed files with 10 additions and 6 deletions
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16
tests/qmckl_test_h5.cpp
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@ -2,7 +2,11 @@
#include "hdf5/serial/hdf5.h" #include "hdf5/serial/hdf5.h"
#include "Helpers.hpp" #include "Helpers.hpp"
extern "C" {
#include "qmckl.h" #include "qmckl.h"
}
#include "assert.h" #include "assert.h"
#ifdef HAVE_CONFIG_H #ifdef HAVE_CONFIG_H
#include "config.h" #include "config.h"
@ -86,13 +90,13 @@ int test_cycle(H5::H5File file, int cycle, std::string version, double tolerance
// const uint64_t cdim = dim; // const uint64_t cdim = dim;
// const uint64_t cnupdates = nupdates; // const uint64_t cnupdates = nupdates;
// const uint64_t* ccol_update_index = col_update_index; // const uint64_t* ccol_update_index = col_update_index;
// const double* cu = u; // const double* cu = u;
// rc = qmckl_sherman_morrison_c( // rc = qmckl_sherman_morrison_c(
// context, // context,
// cdim, // cdim,
// cnupdates, // cnupdates,
// cu, // cu,
// ccol_update_index, // ccol_update_index,
// slater_inverse_nonpersistent); // slater_inverse_nonpersistent);
const uint64_t Dim = 2; const uint64_t Dim = 2;
const uint64_t N_updates = 2; const uint64_t N_updates = 2;