| /dports/science/py-pyscf/pyscf-2.0.1/examples/scf/ |
| H A D | 21-x2c.py | 25 mf = scf.RHF(mol).x2c().run() variable
34 mf = scf.UKS(mol).x2c1e() variable
|
| H A D | 24-tune_diis.py | 22 mf = scf.RKS(mol) variable
64 mf = mol.RKS() variable
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| /dports/science/py-pyscf/pyscf-2.0.1/examples/solvent/ |
| H A D | 03-ccsd_with_ddcosmo.py | 22 mf = scf.RHF(mol).run() variable
38 mf = solvent.ddCOSMO(scf.RHF(mol)).run() variable
|
| H A D | 21-tddft_equilibrium_solvation.py | 25 mf = mol.RHF().ddCOSMO().run() variable
35 mf = mol.RHF().ddCOSMO().run() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/tools/ |
| H A D | 06-chgcar.py | 15 mf = scf.RHF(cell).run() variable
30 mf = scf.RHF(mol).run() variable
|
| H A D | 02-molden.py | 33 mf = scf.RHF(mol) variable
58 mf = scf.RHF(mol).run() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/ci/ |
| H A D | 00-simple_cisd.py | 16 mf = mol.HF().run() variable
20 mf = mol.UHF().run() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/qmmm/ |
| H A D | 00-hf.py | 31 mf = scf.UHF(mol) variable
32 mf = qmmm.mm_charge(mf, coords, charges) variable
|
| H A D | 01-dft.py | 31 mf = dft.RKS(mol) variable
32 mf = qmmm.mm_charge(mf, coords, charges) variable
|
| H A D | 06-tddft.py | 34 mf = scf.RHF(mol) variable
35 mf = qmmm.mm_charge(mf, coords, charges).run() variable
|
| H A D | 11-newton.py | 30 mf = qmmm.mm_charge(scf.RHF(mol), coords, charges) variable
34 mf = mf.newton().run() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/df/ |
| H A D | 11-get_j_io_free.py | 34 mf = dft.RKS(mol).density_fit() variable
46 mf = dft.RKS(mol).density_fit() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/grad/ |
| H A D | 01-scf_grad.py | 21 mf = scf.RHF(mol) variable
26 mf = scf.UHF(mol).x2c() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/hessian/ |
| H A D | 01-scf_hessian.py | 19 mf = mol.RHF().run() variable
25 mf = mol.apply('UKS').x2c().run() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/x2c/ |
| H A D | 01-spin_free_x2c.py | 25 mf = scf.RHF(mol).x2c().run() variable
34 mf = scf.UKS(mol).x2c1e() variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/dft/ |
| H A D | 21-x2c.py | 25 mf = scf.RHF(mol).x2c().run() variable
34 mf = scf.UKS(mol).x2c1e() variable
|
| /dports/databases/percona56-client/percona-server-5.6.51-91.0/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/percona-pam-for-mysql/percona-server-5.6.51-91.0/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/percona57-client/percona-server-5.7.36-39/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/percona57-pam-for-mysql/percona-server-5.7.36-39/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/percona57-server/percona-server-5.7.36-39/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/percona56-server/percona-server-5.6.51-91.0/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/mariadb104-server/mariadb-10.4.24/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/mariadb104-client/mariadb-10.4.24/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|
| /dports/databases/mariadb105-client/mariadb-10.5.15/storage/tokudb/PerconaFT/third_party/xz-4.999.9beta/src/liblzma/lz/ |
| H A D | lz_encoder.c | 26 lzma_mf mf; member
41 move_window(lzma_mf *mf) in move_window()
182 lz_encoder_prepare(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_prepare()
362 lz_encoder_init(lzma_mf *mf, lzma_allocator *allocator, in lz_encoder_init()
444 lzma_mf mf = { in lzma_lz_encoder_memusage() local
531 lzma_mf_is_supported(lzma_match_finder mf) in lzma_mf_is_supported()
|