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Working on factor_een. #22
This commit is contained in:
vijay gopal chilkuri
parent
2af6e36252
commit
a7c1fe526e
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@ -63,33 +63,29 @@ int main() {
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The following data stored in the context:
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| ~uninitialized~ | ~int32_t~ | Keeps bit set for uninitialized data |
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| ~num~ | ~int64_t~ | Total number of electrons |
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| ~up_num~ | ~int64_t~ | Number of up-spin electrons |
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| ~down_num~ | ~int64_t~ | Number of down-spin electrons |
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| ~walk_num~ | ~int64_t~ | Number of walkers |
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| ~rescale_factor_kappa_ee~ | ~double~ | The distance scaling factor |
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| ~rescale_factor_kappa_en~ | ~double~ | The distance scaling factor |
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| ~provided~ | ~bool~ | If true, ~electron~ is valid |
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| ~coord_new~ | ~double[walk_num][3][num]~ | New set of electron coordinates |
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| ~coord_old~ | ~double[walk_num][3][num]~ | Old set of electron coordinates |
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| ~coord_new_date~ | ~uint64_t~ | Last modification date of the coordinates |
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| ~ee_distance~ | ~double[walk_num][num][num]~ | Electron-electron distances |
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| ~ee_distance_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~en_distance~ | ~double[walk_num][nucl_num][num]~ | Electron-nucleus distances |
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| ~en_distance_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~ee_distance_rescaled~ | ~double[walk_num][num][num]~ | Electron-electron rescaled distances |
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| ~ee_distance_rescaled_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~ee_distance_rescaled_deriv_e~ | ~double[walk_num][4][num][num]~ | Electron-electron rescaled distances derivatives |
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| ~ee_distance_rescaled_deriv_e_date~ | ~uint64_t~ | Last modification date of the electron-electron distance derivatives |
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| ~en_distance_rescaled~ | ~double[walk_num][nucl_num][num]~ | Electron-nucleus distances |
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| ~en_distance_rescaled_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~en_distance_rescaled_deriv_e~ | ~double[walk_num][4][nucl_num][num]~ | Electron-electron rescaled distances derivatives |
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| ~en_distance_rescaled_deriv_e_date~ | ~uint64_t~ | Last modification date of the electron-electron distance derivatives |
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| ~een_distance_rescaled~ | ~double[walk_num][nucl_num][num]~ | Electron-nucleus distances |
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| ~een_distance_rescaled_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~een_distance_rescaled_deriv_e~ | ~double[walk_num][4][nucl_num][num]~ | Electron-electron rescaled distances derivatives |
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| ~een_distance_rescaled_deriv_e_date~ | ~uint64_t~ | Last modification date of the electron-electron distance derivatives |
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| ~uninitialized~ | ~int32_t~ | Keeps bit set for uninitialized data |
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| ~num~ | ~int64_t~ | Total number of electrons |
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| ~up_num~ | ~int64_t~ | Number of up-spin electrons |
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| ~down_num~ | ~int64_t~ | Number of down-spin electrons |
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| ~walk_num~ | ~int64_t~ | Number of walkers |
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| ~rescale_factor_kappa_ee~ | ~double~ | The distance scaling factor |
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| ~rescale_factor_kappa_en~ | ~double~ | The distance scaling factor |
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| ~provided~ | ~bool~ | If true, ~electron~ is valid |
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| ~coord_new~ | ~double[walk_num][3][num]~ | New set of electron coordinates |
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| ~coord_old~ | ~double[walk_num][3][num]~ | Old set of electron coordinates |
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| ~coord_new_date~ | ~uint64_t~ | Last modification date of the coordinates |
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| ~ee_distance~ | ~double[walk_num][num][num]~ | Electron-electron distances |
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| ~ee_distance_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~en_distance~ | ~double[walk_num][nucl_num][num]~ | Electron-nucleus distances |
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| ~en_distance_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~ee_distance_rescaled~ | ~double[walk_num][num][num]~ | Electron-electron rescaled distances |
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| ~ee_distance_rescaled_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~ee_distance_rescaled_deriv_e~ | ~double[walk_num][4][num][num]~ | Electron-electron rescaled distances derivatives |
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| ~ee_distance_rescaled_deriv_e_date~ | ~uint64_t~ | Last modification date of the electron-electron distance derivatives |
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| ~en_distance_rescaled~ | ~double[walk_num][nucl_num][num]~ | Electron-nucleus distances |
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| ~en_distance_rescaled_date~ | ~uint64_t~ | Last modification date of the electron-electron distances |
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| ~en_distance_rescaled_deriv_e~ | ~double[walk_num][4][nucl_num][num]~ | Electron-electron rescaled distances derivatives |
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| ~en_distance_rescaled_deriv_e_date~ | ~uint64_t~ | Last modification date of the electron-electron distance derivatives |
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** Data structure
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@ -104,12 +100,10 @@ typedef struct qmckl_electron_struct {
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int64_t coord_new_date;
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int64_t ee_distance_date;
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int64_t en_distance_date;
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int64_t een_distance_date;
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int64_t ee_distance_rescaled_date;
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int64_t ee_distance_rescaled_deriv_e_date;
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int64_t en_distance_rescaled_date;
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int64_t en_distance_rescaled_deriv_e_date;
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int64_t een_distance_rescaled_deriv_e_date;
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double* coord_new;
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double* coord_old;
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double* ee_distance;
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@ -118,8 +112,6 @@ typedef struct qmckl_electron_struct {
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double* ee_distance_rescaled_deriv_e;
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double* en_distance_rescaled;
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double* en_distance_rescaled_deriv_e;
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double* een_distance_rescaled;
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double* een_distance_rescaled_deriv_e;
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int32_t uninitialized;
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bool provided;
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} qmckl_electron_struct;
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@ -1559,7 +1551,6 @@ rc = qmckl_get_electron_ee_distance_rescaled_deriv_e(context, ee_distance_rescal
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#+end_src
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** Electron-nucleus distances
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*** Get
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@ -83,28 +83,32 @@ int main() {
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| ~double~ | ~bord_vector[bord_num + 1]~ | in | Order of b polynomial coefficients |
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| ~double~ | ~cord_vector[cord_num][type_nucl_num]~ | in | Order of c polynomial coefficients |
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| ~double~ | ~factor_ee[walk_num]~ | out | Jastrow factor: electron-electron part |
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| ~double~ | ~factor_ee_date~ | out | Jastrow factor: electron-electron part |
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| ~int64_t~ | ~factor_ee_date~ | out | Jastrow factor: electron-electron part |
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| ~double~ | ~factor_en[walk_num]~ | out | Jastrow factor: electron-nucleus part |
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| ~double~ | ~factor_en_date~ | out | Jastrow factor: electron-nucleus part |
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| ~int64_t~ | ~factor_en_date~ | out | Jastrow factor: electron-nucleus part |
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| ~double~ | ~factor_een[walk_num]~ | out | Jastrow factor: electron-electron-nucleus part |
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| ~double~ | ~factor_een_date~ | out | Jastrow factor: electron-electron-nucleus part |
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| ~int64_t~ | ~factor_een_date~ | out | Jastrow factor: electron-electron-nucleus part |
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| ~double~ | ~factor_ee_deriv_e[4][nelec][walk_num]~ | out | Derivative of the Jastrow factor: electron-electron-nucleus part |
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| ~double~ | ~factor_ee_deriv_e_date~ | out | Keep track of the date for the derivative |
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| ~int64_t~ | ~factor_ee_deriv_e_date~ | out | Keep track of the date for the derivative |
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| ~double~ | ~factor_en_deriv_e[4][nelec][walk_num]~ | out | Derivative of the Jastrow factor: electron-electron-nucleus part |
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| ~double~ | ~factor_en_deriv_e_date~ | out | Keep track of the date for the en derivative |
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| ~int64_t~ | ~factor_en_deriv_e_date~ | out | Keep track of the date for the en derivative |
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| ~double~ | ~factor_een_deriv_e[4][nelec][walk_num]~ | out | Derivative of the Jastrow factor: electron-electron-nucleus part |
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| ~double~ | ~factor_een_deriv_e_date~ | out | Keep track of the date for the een derivative |
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| ~int64_t~ | ~factor_een_deriv_e_date~ | out | Keep track of the date for the een derivative |
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computed data:
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|-----------+-------------------------------------------------------------+-------------------------------------------------|
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| ~int64_t~ | ~dim_cord_vec~ | Number of unique C coefficients |
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| ~double~ | ~asymp_jasb[2]~ | Asymptotic component |
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| ~int64_t~ | ~asymp_jasb_date~ | Asymptotic component |
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| ~double~ | ~coord_vect_full[dim_cord_vec][nucl_num]~ | vector of non-zero coefficients |
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| ~int64_t~ | ~lkpm_of_cindex[4][dim_cord_vec]~ | Transform l,k,p, and m into consecutive indices |
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| ~double~ | ~tmp_c[elec_num][nucl_num][ncord + 1][ncord][walk_num]~ | vector of non-zero coefficients |
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| ~double~ | ~dtmp_c[elec_num][4][nucl_num][ncord + 1][ncord][walk_num]~ | vector of non-zero coefficients |
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|-----------+-------------------------------------------------------------+-------------------------------------------------------------------------------|
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| ~int64_t~ | ~dim_cord_vec~ | Number of unique C coefficients |
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| ~double~ | ~asymp_jasb[2]~ | Asymptotic component |
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| ~int64_t~ | ~asymp_jasb_date~ | Asymptotic component |
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| ~double~ | ~coord_vect_full[dim_cord_vec][nucl_num]~ | vector of non-zero coefficients |
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| ~int64_t~ | ~lkpm_of_cindex[4][dim_cord_vec]~ | Transform l,k,p, and m into consecutive indices |
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| ~double~ | ~tmp_c[elec_num][nucl_num][ncord + 1][ncord][walk_num]~ | vector of non-zero coefficients |
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| ~double~ | ~dtmp_c[elec_num][4][nucl_num][ncord + 1][ncord][walk_num]~ | vector of non-zero coefficients |
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| ~double~ | ~een_rescaled_e[walk_num][elec_num][elec_num][0:cord_num]~ | The electron-electron rescaled distances raised to the powers defined by cord |
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| ~int64_t~ | ~een_rescaled_e_date~ | Keep track of the date of creation |
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| ~double~ | ~een_rescaled_n[walk_num][elec_num][nucl_num][0:cord_num]~ | The electron-electron rescaled distances raised to the powers defined by cord |
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| ~int64_t~ | ~een_rescaled_n_date~ | Keep track of the date of creation |
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For H2O we have the following data:
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@ -293,6 +297,10 @@ typedef struct qmckl_jastrow_struct{
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double * coord_vect_full;
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double * tmp_c;
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double * dtmp_c;
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double * een_rescaled_e;
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double * een_rescaled_n;
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int64_t een_rescaled_e_date;
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int64_t een_rescaled_n_date;
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bool provided;
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char * type;
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} qmckl_jastrow_struct;
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@ -1147,7 +1155,7 @@ assert(qmckl_nucleus_provided(context));
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the dependencies are more recent than the date of the data to
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compute. If it is the case, then the data is recomputed and the
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current date is stored.
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** Asymptotic component for \(f_{ee}\)
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Calculate the asymptotic component ~asymp_jasb~ to be substracted from the final
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@ -1411,9 +1419,8 @@ assert(fabs(asymp_jasb[1]-0.31567342786262853) < 1.e-12);
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#+end_src
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** Electron-electron component \(f_{ee}\)
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Calculate the electron-electron jastrow component ~factor_ee~ using the ~asymp_jasb~
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componenet and the electron-electron rescaled distances ~ee_distance_rescaled~.
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@ -2829,6 +2836,320 @@ assert(fabs(factor_en_deriv_e[0][3][0]+0.9667363412285741 ) < 1.e-12);
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#+end_src
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** Electron-electron rescaled distances for each order
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~een_rescaled_e~ stores the table of the rescaled distances between all
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pairs of electrons and raised to the power \(p\) defined by ~cord_num~:
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\[
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C_{ij,p} = \left( 1 - \exp{-\kappa C_{ij}} \right)^p
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\]
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where \(C_{ij}\) is the matrix of electron-electron distances.
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*** Get
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#+begin_src c :comments org :tangle (eval h_func) :noweb yes
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qmckl_exit_code qmckl_get_jastrow_een_rescaled_e(qmckl_context context, double* const distance_rescaled);
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#+end_src
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#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
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qmckl_exit_code qmckl_get_jastrow_een_rescaled_e(qmckl_context context, double* const distance_rescaled)
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{
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return QMCKL_NULL_CONTEXT;
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}
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qmckl_exit_code rc;
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rc = qmckl_provide_een_rescaled_e(context);
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if (rc != QMCKL_SUCCESS) return rc;
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qmckl_context_struct* const ctx = (qmckl_context_struct* const) context;
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assert (ctx != NULL);
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size_t sze = ctx->electron.num * ctx->electron.num * ctx->electron.walk_num * (ctx->jastrow.cord_num + 1);
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memcpy(distance_rescaled, ctx->jastrow.een_rescaled_e, sze * sizeof(double));
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return QMCKL_SUCCESS;
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}
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#+end_src
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*** Provide :noexport:
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#+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none
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qmckl_exit_code qmckl_provide_een_rescaled_e(qmckl_context context);
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#+end_src
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#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
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qmckl_exit_code qmckl_provide_een_rescaled_e(qmckl_context context)
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{
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return QMCKL_NULL_CONTEXT;
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}
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qmckl_context_struct* const ctx = (qmckl_context_struct* const) context;
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assert (ctx != NULL);
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/* Check if ee distance is provided */
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qmckl_exit_code rc = qmckl_provide_ee_distance(context);
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if(rc != QMCKL_SUCCESS) return rc;
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/* Compute if necessary */
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if (ctx->date > ctx->jastrow.een_rescaled_e_date) {
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/* Allocate array */
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if (ctx->jastrow.een_rescaled_e == NULL) {
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qmckl_memory_info_struct mem_info = qmckl_memory_info_struct_zero;
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mem_info.size = ctx->electron.num * ctx->electron.num *
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ctx->electron.walk_num * (ctx->jastrow.cord_num + 1) * sizeof(double);
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double* een_rescaled_e = (double*) qmckl_malloc(context, mem_info);
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if (een_rescaled_e == NULL) {
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return qmckl_failwith( context,
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QMCKL_ALLOCATION_FAILED,
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"qmckl_een_rescaled_e",
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NULL);
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}
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ctx->jastrow.een_rescaled_e = een_rescaled_e;
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}
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qmckl_exit_code rc =
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qmckl_compute_een_rescaled_e(context,
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ctx->electron.walk_num,
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ctx->electron.num,
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ctx->jastrow.cord_num,
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ctx->electron.rescale_factor_kappa_ee,
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ctx->electron.ee_distance,
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ctx->jastrow.een_rescaled_e);
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if (rc != QMCKL_SUCCESS) {
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return rc;
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}
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ctx->jastrow.een_rescaled_e_date = ctx->date;
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}
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return QMCKL_SUCCESS;
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}
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#+end_src
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*** Compute
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:PROPERTIES:
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:Name: qmckl_compute_een_rescaled_e
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:CRetType: qmckl_exit_code
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:FRetType: qmckl_exit_code
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:END:
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#+NAME: qmckl_factor_een_rescaled_e_args
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| qmckl_context | context | in | Global state |
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| int64_t | walk_num | in | Number of walkers |
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| int64_t | elec_num | in | Number of electrons |
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| int64_t | cord_num | in | Order of polynomials |
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| double | rescale_factor_kappa_ee | in | Factor to rescale ee distances |
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| double | ee_distance[walk_num][elec_num][elec_num] | in | Electron-electron distances |
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| double | een_rescaled_e[walk_num][elec_num][elec_num][0:cord_num] | out | Electron-electron rescaled distances |
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#+begin_src f90 :comments org :tangle (eval f) :noweb yes
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integer function qmckl_compute_een_rescaled_e_f(context, walk_num, elec_num, cord_num, rescale_factor_kappa_ee, &
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ee_distance, een_rescaled_e) &
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result(info)
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use qmckl
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implicit none
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integer(qmckl_context), intent(in) :: context
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integer*8 , intent(in) :: walk_num
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integer*8 , intent(in) :: elec_num
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integer*8 , intent(in) :: cord_num
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double precision , intent(in) :: rescale_factor_kappa_ee
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double precision , intent(in) :: ee_distance(elec_num,elec_num,walk_num)
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double precision , intent(out) :: een_rescaled_e(0:cord_num,elec_num,elec_num,walk_num)
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double precision,dimension(:,:),allocatable :: een_rescaled_e_ij
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double precision :: x
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integer*8 :: i, j, k, l, nw
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allocate(een_rescaled_e_ij(elec_num * (elec_num - 1) / 2, cord_num + 1))
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info = QMCKL_SUCCESS
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if (context == QMCKL_NULL_CONTEXT) then
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info = QMCKL_INVALID_CONTEXT
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return
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endif
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if (walk_num <= 0) then
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info = QMCKL_INVALID_ARG_2
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return
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endif
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if (elec_num <= 0) then
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info = QMCKL_INVALID_ARG_3
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return
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endif
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if (cord_num <= 0) then
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info = QMCKL_INVALID_ARG_4
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return
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endif
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een_rescaled_e_ij(:, 1) = 1.0d0
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! Prepare table of exponentiated distances raised to appropriate power
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do nw = 1, walk_num
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k = 0
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do j = 1, elec_num
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do i = 1, j - 1
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k = k + 1
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een_rescaled_e_ij(k, 2) = dexp(-rescale_factor_kappa_ee * ee_distance(i, j, nw))
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end do
|
||||
end do
|
||||
|
||||
do l = 2, cord_num
|
||||
do k = 1, elec_num * (elec_num - 1)/2
|
||||
een_rescaled_e_ij(k, l + 1) = een_rescaled_e_ij(k, l + 1 - 1) * een_rescaled_e_ij(k, 1)
|
||||
end do
|
||||
end do
|
||||
|
||||
! prepare the actual een table
|
||||
een_rescaled_e = 0.0d0
|
||||
een_rescaled_e(0, :, :, :) = 1.0d0
|
||||
do l = 1, cord_num
|
||||
k = 0
|
||||
do j = 1, elec_num
|
||||
do i = 1, j - 1
|
||||
k = k + 1
|
||||
x = een_rescaled_e_ij(k, l + 1)
|
||||
een_rescaled_e(l, i, j, nw) = x
|
||||
een_rescaled_e(l, j, i, nw) = x
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
|
||||
end function qmckl_compute_een_rescaled_e_f
|
||||
#+end_src
|
||||
|
||||
#+CALL: generate_c_header(table=qmckl_factor_een_rescaled_e_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src c :tangle (eval h_func) :comments org
|
||||
qmckl_exit_code qmckl_compute_een_rescaled_e (
|
||||
const qmckl_context context,
|
||||
const int64_t walk_num,
|
||||
const int64_t elec_num,
|
||||
const int64_t cord_num,
|
||||
const double rescale_factor_kappa_ee,
|
||||
const double* ee_distance,
|
||||
double* const een_rescaled_e );
|
||||
#+end_src
|
||||
|
||||
#+CALL: generate_c_interface(table=qmckl_factor_een_rescaled_e_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval f) :comments org :exports none
|
||||
integer(c_int32_t) function qmckl_compute_een_rescaled_e &
|
||||
(context, walk_num, elec_num, cord_num, rescale_factor_kappa_ee, ee_distance, een_rescaled_e) &
|
||||
bind(C) result(info)
|
||||
|
||||
use, intrinsic :: iso_c_binding
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: walk_num
|
||||
integer (c_int64_t) , intent(in) , value :: elec_num
|
||||
integer (c_int64_t) , intent(in) , value :: cord_num
|
||||
real (c_double ) , intent(in) , value :: rescale_factor_kappa_ee
|
||||
real (c_double ) , intent(in) :: ee_distance(elec_num,elec_num,walk_num)
|
||||
real (c_double ) , intent(out) :: een_rescaled_e(0:cord_num,elec_num,elec_num,walk_num)
|
||||
|
||||
integer(c_int32_t), external :: qmckl_compute_een_rescaled_e_f
|
||||
info = qmckl_compute_een_rescaled_e_f &
|
||||
(context, walk_num, elec_num, cord_num, rescale_factor_kappa_ee, ee_distance, een_rescaled_e)
|
||||
|
||||
end function qmckl_compute_een_rescaled_e
|
||||
#+end_src
|
||||
|
||||
*** Test
|
||||
|
||||
#+begin_src python :results output :exports none :noweb yes
|
||||
import numpy as np
|
||||
|
||||
<<jastrow_data>>
|
||||
|
||||
elec_coord = np.array(elec_coord)[0]
|
||||
elec_dist = np.zeros(shape=(elec_num, elec_num),dtype=float)
|
||||
for i in range(elec_num):
|
||||
for j in range(elec_num):
|
||||
elec_dist[i, j] = np.linalg.norm(elec_coord[i] - elec_coord[j])
|
||||
|
||||
kappa = 1.0
|
||||
|
||||
een_rescaled_e_ij = np.zeros(shape=(elec_num * (elec_num - 1)//2, cord_num+1), dtype=float)
|
||||
een_rescaled_e_ij[:,0] = 1.0
|
||||
|
||||
k = 0
|
||||
for j in range(elec_num):
|
||||
for i in range(j - 1):
|
||||
een_rescaled_e_ij[k, 1] = np.exp(-kappa * elec_dist[i, j])
|
||||
k = k + 1
|
||||
|
||||
for l in range(2, cord_num + 1):
|
||||
for k in range(elec_num * (elec_num - 1)//2):
|
||||
een_rescaled_e_ij[k, l] = een_rescaled_e_ij[k, l - 1] * een_rescaled_e_ij[k, 1]
|
||||
|
||||
een_rescaled_e = np.zeros(shape=(elec_num, elec_num, cord_num + 1), dtype=float)
|
||||
een_rescaled_e[:,:,0] = 1.0
|
||||
|
||||
for l in range(1,cord_num+1):
|
||||
k = 0
|
||||
for j in range(elec_num):
|
||||
for i in range(j - 1):
|
||||
x = een_rescaled_e_ij[k, l]
|
||||
een_rescaled_e[i, j, l] = x
|
||||
een_rescaled_e[j, i, l] = x
|
||||
k = k + 1
|
||||
|
||||
print(" een_rescaled_e[0, 2, 1] = ",een_rescaled_e[0, 2, 1])
|
||||
print(" een_rescaled_e[0, 3, 1] = ",een_rescaled_e[0, 3, 1])
|
||||
print(" een_rescaled_e[0, 4, 1] = ",een_rescaled_e[0, 4, 1])
|
||||
print(" een_rescaled_e[1, 3, 2] = ",een_rescaled_e[1, 3, 2])
|
||||
print(" een_rescaled_e[1, 4, 2] = ",een_rescaled_e[1, 4, 2])
|
||||
print(" een_rescaled_e[1, 5, 2] = ",een_rescaled_e[1, 5, 2])
|
||||
#+end_src
|
||||
|
||||
#+RESULTS:
|
||||
: een_rescaled_e[0, 2, 1] = 0.08084493981483197
|
||||
: een_rescaled_e[0, 3, 1] = 0.1066745707571846
|
||||
: een_rescaled_e[0, 4, 1] = 0.01754273169464735
|
||||
: een_rescaled_e[1, 3, 2] = 0.02214680362033448
|
||||
: een_rescaled_e[1, 4, 2] = 0.0005700154999202759
|
||||
: een_rescaled_e[1, 5, 2] = 0.3424402276009091
|
||||
|
||||
#+begin_src c :tangle (eval c_test)
|
||||
assert(qmckl_electron_provided(context));
|
||||
|
||||
|
||||
double een_rescaled_e[walk_num][elec_num][elec_num][(cord_num + 1)];
|
||||
rc = qmckl_get_jastrow_een_rescaled_e(context, &(een_rescaled_e[0][0][0][0]));
|
||||
|
||||
// value of (0,2,1)
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][0][2][1]);
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][0][3][1]);
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][0][4][1]);
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][1][3][2]);
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][1][4][2]);
|
||||
//printf("%10.15f = \n", een_rescaled_e[0][1][5][2]);
|
||||
//assert(fabs(een_rescaled_e[0][0][2][1]-) < 1.e-12);
|
||||
//assert(fabs(een_rescaled_e[0][0][3][1]-) < 1.e-12);
|
||||
//assert(fabs(een_rescaled_e[0][0][4][1]-) < 1.e-12);
|
||||
//assert(fabs(een_rescaled_e[0][1][3][2]-) < 1.e-12);
|
||||
//assert(fabs(een_rescaled_e[0][1][4][2]-) < 1.e-12);
|
||||
//assert(fabs(een_rescaled_e[0][1][5][2]-) < 1.e-12);
|
||||
|
||||
#+end_src
|
||||
|
||||
|
||||
* End of files :noexport:
|
||||
|
||||
#+begin_src c :tangle (eval h_private_type)
|
||||
|
|
|
|||
Loading…
Reference in New Issue
Block a user