| Path |
Digest |
Size |
| pyscfadlib-0.1.8.dist-info/RECORD |
— |
— |
| pyscfadlib-0.1.8.dist-info/WHEEL |
sha256=B9GQQu16Uy3P4TO_vi0BR1mKBeIoBDrSMZPMK1T9HbE
|
114 |
| pyscfadlib-0.1.8.dist-info/METADATA |
sha256=ThMWDFutC2isqfGpEAq6UPFedaRqVA0_zUdr_JsYvFM
|
1041 |
| pyscfadlib-0.1.8.dist-info/licenses/LICENSE |
sha256=RGHU6Z5CxvMHDlEUG9QEusf6t6E4flOFf3wufQloXrA
|
1072 |
| pyscfadlib/CMakeLists.txt |
sha256=byTzgbvvED_2XakMHYpSuBsP8xDO3pzJ9OzXF5ILa04
|
5177 |
| pyscfadlib/version.py |
sha256=rq5OMW-khxQo_5FAvSrPaAS1lRfG9aG2hSuo-KK2Yfk
|
22 |
| pyscfadlib/config.h |
sha256=TrMTCwhQvIaogfWU4PGhgzD__YyDy3GkbZMkAfpyW94
|
113 |
| pyscfadlib/libcint.patch |
sha256=ln9bwA1w0fvXi32brmvUHpwoCMaGnY1xO9NSW8arhtI
|
1051 |
| pyscfadlib/libcint.patch.6.1 |
sha256=ln9bwA1w0fvXi32brmvUHpwoCMaGnY1xO9NSW8arhtI
|
1051 |
| pyscfadlib/lib.py |
sha256=g7Dfr_YoYJ--z0r9Uc0dUJ0A3JLS7NFy90ff6OtdJ2M
|
427 |
| pyscfadlib/libvjp_util.dylib |
sha256=pFu2xaAw7ujZqaF3gZDpV-cKvUM-vWmNoaFzBVkVaVo
|
16560 |
| pyscfadlib/lapack_ad.cpython-39-darwin.so |
sha256=xCGsTwA0ZvY-KIEvYfcV7zn9B1NvxDsmd9-8u1nsT2k
|
92016 |
| pyscfadlib/config.h.in |
sha256=TrMTCwhQvIaogfWU4PGhgzD__YyDy3GkbZMkAfpyW94
|
113 |
| pyscfadlib/__init__.py |
sha256=Lx_6jnYeWWb2tVn5AlOjcm0Rb4MBbTgmgYX5VRCOp-Q
|
242 |
| pyscfadlib/libnp_helper_ad.dylib |
sha256=eTff0p4e8OObaTqUW2XrDmjGxqPjz8iHneo-0Mj4YCg
|
33184 |
| pyscfadlib/libcgto_vjp.dylib |
sha256=BT_Fs7pZ8aD4XDb0gu-gGT4B8-C44C24t02LeXiiIBk
|
69328 |
| pyscfadlib/libcvhf_vjp.dylib |
sha256=hRaxe6_9qqJZYNP03azXXD-t8lDrABTuw38HFd6uHIM
|
52448 |
| pyscfadlib/libao2mo_vjp.dylib |
sha256=ulCXW-4hiquimMbRb8lMe_sync-1uuWxLmQCYkfHaNw
|
52320 |
| pyscfadlib/apply_patch.sh |
sha256=gFjQ9_7jir7kCSpNhr--3r_Gh15RWn7vTvxIHIbMKGc
|
270 |
| pyscfadlib/libnp_helper_vjp.dylib |
sha256=hGCHc-L6w9JL-WeAeD935K7TLGkgYXh4BBGvoS_uspI
|
16680 |
| pyscfadlib/libcc_vjp.dylib |
sha256=xdzGCx3x87SPphEJoaktTb9xWV0cZ0abGzgbVv0q1fg
|
85440 |
| pyscfadlib/libcint.patch.5.4 |
sha256=ys1rgBiRHsvW7mcO4nytlkR9-1y81Wvs2d64GVwzS7o
|
1051 |
| pyscfadlib/libcgto_ad.dylib |
sha256=gM7twAF_wCStnkw5GW6h9q04Ju6S3kDx54eVBoPCndo
|
873184 |
| pyscfadlib/lapack.py |
sha256=CCe8p41733wvkNmqreHmJN_-0luy8WKWVqi2D21eniM
|
3264 |
| pyscfadlib/vjp/CMakeLists.txt |
sha256=re8aoOPr289zO7qjoQ9r276HRCpj6cmsv_J_kCDj-po
|
1511 |
| pyscfadlib/vjp/util/omp_reduce.c |
sha256=Lo9Pf-HcUxzkvKRG0Hwb-Upgyo2Esm67llPHkTBvuIg
|
721 |
| pyscfadlib/vjp/util/pack_tril.c |
sha256=zTlod5B4ZwDxL-pR-nzhITILaC-kzILhnXnrSaFx0Lw
|
307 |
| pyscfadlib/vjp/util/util.h |
sha256=TaHzi22H6CCxZVn2iPg6_juGFmPEp7ftb4oROw-qELU
|
180 |
| pyscfadlib/vjp/np_helper/pack_tril_vjp.c |
sha256=OrMusZDO9nUGu9qp7LI6_fFLgfexWU9kDhfGvDt2byQ
|
1815 |
| pyscfadlib/vjp/gto/fill_nr_3c_vjp.c |
sha256=8bEY5PyZLMZ-sRUOdd7zWrJW3gEWS-LLy87a51eOZ1E
|
7515 |
| pyscfadlib/vjp/gto/fill_int2c_vjp.c |
sha256=84vo1CvXgaZIzAGhaOdEONwiUcJF4Iwud9eiY15tifc
|
19349 |
| pyscfadlib/vjp/gto/fill_int2e_vjp.c |
sha256=jFnRlnqlQIquABWtoqUIq8JDMdye0MHJoRUUb_OSL_U
|
9542 |
| pyscfadlib/vjp/vhf/nr_incore_vjp.c |
sha256=-XEf7Xwfk3lkAFRG52wKL8G10CWcwfGosyrRerZ1To0
|
4883 |
| pyscfadlib/vjp/vhf/df_jk_vjp.c |
sha256=Af7Up_LCaiGku6bIc_ubFE1HWCu42WN6MwP59cNbMuw
|
2618 |
| pyscfadlib/vjp/ao2mo/nr_ao2mo_vjp.c |
sha256=vfHacDi-5hCS3PP5LHA3MMWwz0uxhefVw4u_8ITpM_k
|
6708 |
| pyscfadlib/vjp/cc/ccsd_t.c |
sha256=fmrAzYdtOZgmIQDYai4uYN7fvtekSanix6qMd-4l9YE
|
6354 |
| pyscfadlib/vjp/cc/lno_ccsd_t.c |
sha256=dQpH3IDgc2hvIE6g56g4cRZdv4Jw6afeuNp6SHi_3Lo
|
5101 |
| pyscfadlib/vjp/cc/ccsd_t_vjp.c |
sha256=uejhbPbGAl8G3kQqYHommdFjYwFtCgaMudeMcpZryDo
|
17649 |
| pyscfadlib/vjp/cc/lno_ccsd_t_vjp.c |
sha256=WoDt0rO9FNdWilsAQQjhS7MbMZVgA6vf-6r-t3N5C0Y
|
20681 |
| pyscfadlib/vjp/cc/ccsd_t.h |
sha256=23A0G0aM90cUazbIw9GcPn0YSQzJ1AXPSr3Ste1CmRQ
|
811 |
| pyscfadlib/lapack/lapack.cc |
sha256=9JpNos5FTzNz9KzAjDqdAuYyZOZURCVoU5eTbcjznM8
|
1456 |
| pyscfadlib/lapack/CMakeLists.txt |
sha256=v-DnqdHRjsmDuZnd0jVDifjL8Cq5jqlutJgrpuc7tlY
|
243 |
| pyscfadlib/lapack/kernel_nanobind_helpers.h |
sha256=80B3nyEVuLuwG5Y-pMfMe66OYU3G0mnMnjyTddcZ4Bo
|
347 |
| pyscfadlib/lapack/lapack_kernels.h |
sha256=ilNxxqOK6l60MKExSZHQ9yNBcxcf8eDByRA9-dJdCmo
|
2203 |
| pyscfadlib/lapack/lapack_kernels.cc |
sha256=qQat5PF0KAMX2xw-Y7iPCU9Rkd_jY7VzGQDn_B1ymv8
|
3888 |
| pyscfadlib/np_helper/CMakeLists.txt |
sha256=78FxHTlJ-S3TiE9vC5lfbF5syVujTxlf1pjI-SieT7k
|
828 |
| pyscfadlib/np_helper/pack_tril.c |
sha256=7Jvo_OieEniev5ZqlDzxVtkTqyCtxPpbRq-PV_XNN1g
|
1947 |
| pyscfadlib/np_helper/np_helper.h |
sha256=JD33ewuYmNMpaKMK8f1thil_2WaQT8aXYOCEIzVAyQM
|
1377 |
| pyscfadlib/np_helper/np_helper.c |
sha256=TDiULeLIrXv7QRNo3CdJURBZHB7QddP-vcw_sKFgLO8
|
977 |
| pyscfadlib/gto/ft_ao.h |
sha256=it-5q0w2LEKmUIgzMKdJUP_dQlZPrdRauxzefBrCWDo
|
4288 |
| pyscfadlib/gto/gto.h |
sha256=HqxeGsSHjmGmme-qd-0gulkPVvqUGh_F1eeYeNrZOy0
|
845 |
| pyscfadlib/gto/CMakeLists.txt |
sha256=W93EmVgyN8ReJnEfFXNGxAg6NLoPj1jxiEEH9L6afMk
|
1079 |
| pyscfadlib/gto/grid_ao_drv.c |
sha256=eO0sJ1grh7NbLVuIUoeXPzvyWEm5MldsXRrHj_lhwGE
|
20944 |
| pyscfadlib/gto/fastexp.c |
sha256=7yfStSfKVivdUWM-d5cTIMyGR2GqoNQsbQ2Cd-0qnjU
|
3784 |
| pyscfadlib/gto/fill_grids_int2c.c |
sha256=1zjA1QznfmpHukZYccyhLTXna4ZqcitzGQzNLLqcS0M
|
8515 |
| pyscfadlib/gto/nr_ecp_deriv.c |
sha256=AeezUkiKrUTc4fF1t6dpnFjlJbeOhdtcvIHQhUo_3tE
|
45488 |
| pyscfadlib/gto/fill_r_4c.c |
sha256=60kViOA0lO70o2snfYO-bdyOLYJvAmzbETcBNr985nw
|
3666 |
| pyscfadlib/gto/nr_ecp.h |
sha256=-905IT5xXeRcALhG2eNhAIQskqcnSLCKwSwn7KcKV3s
|
1512 |
| pyscfadlib/gto/fill_int2e.c |
sha256=XEcJlmXJwJK1fWeRFV1Lecl3C4uOZYwLDkWE1MdHRgQ
|
24491 |
| pyscfadlib/gto/ft_ao.c |
sha256=wqdnxLRvUm2R04CJrTFX6e9yO5ShkPZgvSpp-tfYx7A
|
51411 |
| pyscfadlib/gto/fill_nr_3c.c |
sha256=anOaGX7zaKe1Ovjh157hg4JIgg8Rgk3ALUuLFW1F3gc
|
7986 |
| pyscfadlib/gto/grid_ao_drv.h |
sha256=k377ksK4D1BgXCe8BalUgG5O7nFaZI7Bd1DdDIY8WIg
|
4097 |
| pyscfadlib/gto/fill_r_3c.c |
sha256=8njoTDUHSXdkDcnTJVmpsOIeeh_PEpa2crzAcTNYbWs
|
7357 |
| pyscfadlib/gto/deriv1.c |
sha256=-RtN7yDUla5TEi0VllzEVI0_FH9HLtbII_EfIZlj30E
|
26701 |
| pyscfadlib/gto/nr_ecp.c |
sha256=ilquav3rmI-VprBELIMGqjsdxl7pN-QQQnl25DVc_78
|
1014868 |
| pyscfadlib/gto/ft_ao_deriv.c |
sha256=OyUPeqdPt5usgWu5kkMpGMXh1vGYbjQPeyApgU27YpU
|
12441 |
| pyscfadlib/gto/fill_int2c.c |
sha256=covkMiFJTNk9kAbML5Id8vLxEhUC9O87DuatcNJCsKI
|
7798 |
| pyscfadlib/gto/deriv2.c |
sha256=7WxPvXwA6GFE6ujnp_78gK5X227E51FnzuTSnn3Qb9I
|
63100 |
| pyscfadlib/gto/test/test_ecp.py |
sha256=ggXC0OzkBqv9koecHd5uHWP52vip9tDiCKi8YVbYF3s
|
28317 |
| pyscfadlib/gto/test/test_gridao.py |
sha256=jNVRniQo5RhqmPR8JyMsHJG1tBHBuUhFsHW72X2Rf6g
|
12867 |
| pyscfadlib/gto/autocode/parser.cl |
sha256=xAgaevxWNV1zDBhnlB3naFWNauCIMv5S5G31ERFd-I0
|
12000 |
| pyscfadlib/gto/autocode/utility.cl |
sha256=ugQsw-ybyARsR5c_8FMfum7bo0Pr_2_sGAYWsdXeaks
|
1060 |
| pyscfadlib/gto/autocode/derivator.cl |
sha256=bVzMksQGF1l3erT81UYo1PkITaWgAqYwi81tYEnGCMQ
|
14007 |
| pyscfadlib/gto/autocode/gen-code.cl |
sha256=cY3Q6dQXLJABGRWNmJtqx8TYRdCThnWl_j_HASPZGy0
|
13025 |
| pyscfadlib/gto/autocode/auto_eval1.c |
sha256=ANsKNNw0bKBzS-dc7uLc_WaYIbEYiMQ7yfXsoxZELdU
|
57483 |
| pyscfadlib/gto/autocode/auto_eval.cl |
sha256=Qwu3hUvhCIU5ejzhMOvEGW2ZkQbA-XuLDroscccAR0U
|
423 |
| pyscfadlib/vhf/fblas.h |
sha256=Ye1XrHHRegfH0KbGiwrAb7mimSK6UlL_tgWVtWgbzyk
|
4132 |
| pyscfadlib/thirdparty/include/cint.h |
sha256=5RTHBS2AqPOaahdc0261cD1qzetTPx0djE1w1vV5q8I
|
9345 |
| pyscfadlib/thirdparty/include/cint_funcs.h |
sha256=kci7ogEaNlcAcWdTtMwBdONTgdB1n8GXdb8gUkXvX6M
|
45987 |
| pyscfadlib/thirdparty/lib/libcintad.6.1.1.dylib |
sha256=FBfYwzz1K2QOstrUsVe6BJiQFceGYd1nyH61RY3SF3M
|
3047936 |
| pyscfadlib/thirdparty/lib/libcintad.dylib |
sha256=FBfYwzz1K2QOstrUsVe6BJiQFceGYd1nyH61RY3SF3M
|
3047936 |
| pyscfadlib/thirdparty/lib/libcintad.6.dylib |
sha256=FBfYwzz1K2QOstrUsVe6BJiQFceGYd1nyH61RY3SF3M
|
3047936 |