Searched refs:S_evecs (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_param_linpot.F | 183 S_evecs(:, :) = S
184 CALL diamat_all(S_evecs, S_evals)
192 block_R(i, j) = block_R(i, j) + w*S_evecs(i, k)*S_evecs(j, k)
198 DEALLOCATE (S, S_evals, S_evecs)
262 S_evecs(:, :) = S
263 CALL diamat_all(S_evecs, S_evals)
272 … block_precon(i, j) = block_precon(i, j) + S_evecs(i, k)*S_evecs(j, k)/SQRT(eval_capped)
273 … block_precon_inv(i, j) = block_precon_inv(i, j) + S_evecs(i, k)*S_evecs(j, k)*SQRT(eval_capped)
278 DEALLOCATE (S, S_evecs, S_evals)
588 S_evecs(:, :) = S
[all …]
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| H A D | pao_ml_descriptor.F | 212 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs local
237 ALLOCATE (block_S(N, N), S_evals(N), S_evecs(N, N))
301 S_evecs(:, :) = block_S(:, :)
302 CALL diamat_all(S_evecs, S_evals)
314 block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k)))
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_param_linpot.F | 183 S_evecs(:, :) = S
184 CALL diamat_all(S_evecs, S_evals)
192 block_R(i, j) = block_R(i, j) + w*S_evecs(i, k)*S_evecs(j, k)
198 DEALLOCATE (S, S_evals, S_evecs)
262 S_evecs(:, :) = S
263 CALL diamat_all(S_evecs, S_evals)
272 … block_precon(i, j) = block_precon(i, j) + S_evecs(i, k)*S_evecs(j, k)/SQRT(eval_capped)
273 … block_precon_inv(i, j) = block_precon_inv(i, j) + S_evecs(i, k)*S_evecs(j, k)*SQRT(eval_capped)
278 DEALLOCATE (S, S_evecs, S_evals)
588 S_evecs(:, :) = S
[all …]
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| H A D | pao_ml_descriptor.F | 212 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_S, S_evecs local
237 ALLOCATE (block_S(N, N), S_evals(N), S_evecs(N, N))
301 S_evecs(:, :) = block_S(:, :)
302 CALL diamat_all(S_evecs, S_evals)
314 block_M(:, :) = block_M(:, :) + w*MATMUL(S_evecs(:, k:k), TRANSPOSE(S_evecs(:, k:k)))
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