mirror of https://gitlab.com/QEF/q-e.git
40 lines
1.6 KiB
Bash
40 lines
1.6 KiB
Bash
#!/bin/bash
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python gen_intrinsic.py gvect "gg:REAL(DP):1" "g:REAL(DP):2" "mill:INTEGER:2" "eigts1:COMPLEX(DP):2" "eigts2:COMPLEX(DP):2" "eigts3:COMPLEX(DP):2"
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mv gvect_gpu.f90 ../../Modules/recvec_gpu.f90
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python gen_intrinsic.py wavefunctions "evc:COMPLEX(DP):2" "psic:COMPLEX(DP):1" "psic_nc:COMPLEX(DP):2"
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mv wavefunctions_gpu.f90 ../../Modules/wavefunctions_gpu.f90
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python gen_intrinsic.py wvfct "g2kin:REAL(DP):1" "et:REAL(DP):2" "wg:REAL(DP):2"
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mv wvfct_gpu.f90 ../../PW/src/pwcom_gpu.f90
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python gen_intrinsic.py us "qrad:REAL(DP):4" "tab:REAL(DP):3" "tab_at:REAL(DP):3"
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cat us_gpu.f90 >> ../../PW/src/pwcom_gpu.f90
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rm us_gpu.f90
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python gen_intrinsic.py spin_orb "fcoef:COMPLEX(DP):5"
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cat spin_orb_gpu.f90 >> ../../PW/src/pwcom_gpu.f90
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rm spin_orb_gpu.f90
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python gen_intrinsic.py g_psi_mod "h_diag:REAL(DP):2" "s_diag:REAL(DP):2"
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mv g_psi_mod_gpu.f90 ../../PW/src/g_psi_mod_gpu.f90
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python gen_intrinsic.py scf "vrs:REAL(DP):2"
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mv scf_gpu.f90 ../../PW/src/scf_mod_gpu.f90
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python gen_intrinsic.py uspp "indv:INTEGER:2" "nhtol:INTEGER:2" "nhtolm:INTEGER:2" \
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"ijtoh:INTEGER:3" "indv_ijkb0:INTEGER:1" \
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"vkb:COMPLEX(DP):2" "becsum:REAL(DP):3" "ebecsum:REAL(DP):3" \
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"dvan:REAL(DP):3" "deeq:REAL(DP):4" \
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"qq_nt:REAL(DP):3" "qq_at:REAL(DP):3" \
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"nhtoj:REAL(DP):2" \
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"qq_so:COMPLEX(DP):4" "dvan_so:COMPLEX(DP):4" \
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"deeq_nc:COMPLEX(DP):4"
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mv uspp_gpu.f90 ../../upflib/uspp_gpu.f90
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python gen_derived.py becmod
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mv becmod_gpu.f90 ../../Modules/becmod_gpu.f90
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