col_atom (reference) in projects: dports

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Searched refs:col_atom (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	rt_propagation_forces.F	293 INTEGER :: col_atom, i, ikind, kind_atom, row_atom local 304 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 305 CALL dbcsr_get_block_p(S_der(i)%matrix, row_atom, col_atom, block_values2, found=found) 307 ikind = kind_of(col_atom) 308 kind_atom = atom_of_kind(col_atom) 321 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 322 CALL dbcsr_get_block_p(C_mat(i)%matrix, row_atom, col_atom, block_values2, found=found) 324 ikind = kind_of(col_atom) 325 kind_atom = atom_of_kind(col_atom)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	rt_propagation_forces.F	293 INTEGER :: col_atom, i, ikind, kind_atom, row_atom local 304 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 305 CALL dbcsr_get_block_p(S_der(i)%matrix, row_atom, col_atom, block_values2, found=found) 307 ikind = kind_of(col_atom) 308 kind_atom = atom_of_kind(col_atom) 321 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 322 CALL dbcsr_get_block_p(C_mat(i)%matrix, row_atom, col_atom, block_values2, found=found) 324 ikind = kind_of(col_atom) 325 kind_atom = atom_of_kind(col_atom)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A D	rt_propagation_utils.F	`93 INTEGER :: col_atom, handle, i, j, m, maxder, n, & local 154 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 155 IF (row_atom == col_atom) block_values = 0.0_dp 170 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 171 IF (row_atom == col_atom) block_values = 0.0_dp 172 block_values = block_values*particle_set(col_atom)%v(m) 205 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values)`
H A D	rt_propagation_methods.F	`505 INTEGER :: col_atom, handle, row_atom local 523 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 524 CALL dbcsr_get_block_p(mat_re, row_atom, col_atom, block_values2, found=found) 528 CALL dbcsr_get_block_p(mat_im, row_atom, col_atom, block_values2, found=found)`
H A D	rt_propagation_output.F	`463 INTEGER :: col_atom, group, handle, i, ispin, & local 483 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 500 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values)`
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A D	rt_propagation_utils.F	`93 INTEGER :: col_atom, handle, i, j, m, maxder, n, & local 154 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 155 IF (row_atom == col_atom) block_values = 0.0_dp 170 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 171 IF (row_atom == col_atom) block_values = 0.0_dp 172 block_values = block_values*particle_set(col_atom)%v(m) 205 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values)`
H A D	rt_propagation_methods.F	`505 INTEGER :: col_atom, handle, row_atom local 523 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 524 CALL dbcsr_get_block_p(mat_re, row_atom, col_atom, block_values2, found=found) 528 CALL dbcsr_get_block_p(mat_im, row_atom, col_atom, block_values2, found=found)`
H A D	rt_propagation_output.F	`463 INTEGER :: col_atom, group, handle, i, ispin, & local 483 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values) 500 CALL dbcsr_iterator_next_block(iter, row_atom, col_atom, block_values)`