compute_tc_int_gpu.irp.f
|
CuTC integrals: OK
|
2024-08-02 21:16:27 +02:00 |
compute_tc_int.irp.f
|
openmp issue solved
|
2024-08-05 14:49:35 +02:00 |
cutc_module.F90
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
deb_int_2e_ao_gpu.irp.f
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
deb_no_0e_gpu.irp.f
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
deb_no_1e_gpu.irp.f
|
added 1e-noL with CUDA
|
2024-08-10 18:13:23 +02:00 |
deb_no_2e_gpu.irp.f
|
added 1e-noL with CUDA
|
2024-08-10 18:13:23 +02:00 |
deb_no_gpu.irp.f
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
deb_tc_int_cuda.irp.f
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
EZFIO.cfg
|
cuda tc-integrals tested
|
2024-08-03 18:08:23 +02:00 |
install
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
jast_grad_full.irp.f
|
devide BH jast coeff by 2 direct
|
2024-08-04 11:58:19 +02:00 |
LIB
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
NEED
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
no_0e.irp.f
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
no_1e.irp.f
|
added 1e-noL with CUDA
|
2024-08-10 18:13:23 +02:00 |
no_2e.irp.f
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
README.rst
|
1st commit
|
2024-06-26 11:15:30 +02:00 |
uninstall
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
write_tc_int_cuda.irp.f
|
add normal-ordering with CuTC
|
2024-08-13 10:57:44 +02:00 |
write_tc_int_gpu.irp.f
|
issue with linking with CUDA
|
2024-06-29 01:16:48 +02:00 |
write_tc_int.irp.f
|
v0
|
2024-06-26 15:31:44 +02:00 |