| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | electrons.f90 | 40 USE exx, ONLY : aceinit,exxinit, exxenergy2, exxbuff, &
129 IF (use_ace) CALL aceinit ( DoLoc )
193 CALL aceinit ( DoLoc )
231 IF (use_ace) CALL aceinit ( DoLoc, fock3 )
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| H A D | exx.f90 | 2959 SUBROUTINE aceinit( DoLoc, exex ) subroutine
3026 END SUBROUTINE aceinit
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_exx_kernel.f90 | 75 USE exx, ONLY : exxinit, aceinit, exx_gvec_reinit
94 IF (use_ace) CALL aceinit ( DOLOC = .FALSE. )
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | ppacf.f90 | 45 use_ace, aceinit, local_thr, nbndproj
844 CALL aceinit( DOLOC = (local_thr > 0._DP) )
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_pbe/ |
| H A D | benchmark.out.git.inp=pbe0-si111.in | 531 aceinit : 0.41s CPU 0.43s WALL ( 40 calls)
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| H A D | benchmark.out.git.inp=pbe0-si222.in | 559 aceinit : 3.01s CPU 3.06s WALL ( 40 calls)
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| H A D | benchmark.out.git.inp=pbe0-si444.in | 585 aceinit : 23.96s CPU 24.20s WALL ( 40 calls)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_gau-pbe/ |
| H A D | benchmark.out.git.inp=gau-pbe-si111.in | 531 aceinit : 0.31s CPU 0.34s WALL ( 40 calls)
|
| H A D | benchmark.out.git.inp=gau-pbe-si222.in | 579 aceinit : 2.16s CPU 2.42s WALL ( 40 calls)
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| H A D | benchmark.out.git.inp=gau-pbe-si444.in | 595 aceinit : 17.64s CPU 19.24s WALL ( 40 calls)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_hse/ |
| H A D | benchmark.out.git.inp=hse-si111.in | 531 aceinit : 0.29s CPU 0.34s WALL ( 40 calls)
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| H A D | benchmark.out.git.inp=hse-si222.in | 579 aceinit : 2.23s CPU 2.42s WALL ( 40 calls)
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| H A D | benchmark.out.git.inp=hse-si444.in | 595 aceinit : 17.44s CPU 19.27s WALL ( 40 calls)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_uspp/ |
| H A D | benchmark.out.git.inp=uspp-hyb-k.in | 530 aceinit : 8.57s CPU 8.65s WALL ( 30 calls)
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| H A D | benchmark.out.git.inp=uspp-hyb-g.in | 513 aceinit : 0.70s CPU 0.75s WALL ( 4 calls)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_noncolin/ |
| H A D | benchmark.out.git.inp=noncolin-hyb.in | 525 aceinit : 0.99s CPU 1.07s WALL ( 8 calls)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_b3lyp/ |
| H A D | benchmark.out.git.inp=b3lyp-O.in | 553 aceinit : 0.46s CPU 1.48s WALL ( 8 calls)
|
| H A D | benchmark.out.git.inp=x3lyp-O.in | 553 aceinit : 0.41s CPU 1.78s WALL ( 8 calls)
|
| H A D | benchmark.out.git.inp=b3lyp-h2o.in | 992 aceinit : 0.93s CPU 1.57s WALL ( 11 calls)
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| H A D | benchmark.out.git.inp=x3lyp-h2o.in | 954 aceinit : 1.00s CPU 1.37s WALL ( 11 calls)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example10/reference/ |
| H A D | CH4.scf.out | 546 aceinit : 0.06s CPU 0.06s WALL ( 5 calls)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example04/reference/ |
| H A D | CH4.scf.out | 651 aceinit : 0.04s CPU 0.05s WALL ( 6 calls)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/examples/example05/reference/ |
| H A D | CH4.scf.out | 1239 aceinit : 0.02s CPU 0.02s WALL ( 16 calls)
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/exx_scf_bands_example/reference/ |
| H A D | si.scf.out | 31178 aceinit : 201.81s CPU 234.31s WALL ( 4046 calls)
|