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compute_int_2e_ao_cpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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compute_int_2e_ao_gpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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compute_no_cpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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compute_no_gpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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compute_tc_int_gpu.irp.f
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CuTC integrals: OK
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2024-08-02 21:16:27 +02:00 |
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compute_tc_int.irp.f
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openmp issue solved
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2024-08-05 14:49:35 +02:00 |
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cutc_module.F90
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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deb_int_2e_ao_gpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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deb_no_gpu.irp.f
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cleaning in cpu vs gpu comparison
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2024-08-13 12:19:30 +02:00 |
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EZFIO.cfg
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cuda tc-integrals tested
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2024-08-03 18:08:23 +02:00 |
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install
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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jast_grad_full.irp.f
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devide BH jast coeff by 2 direct
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2024-08-04 11:58:19 +02:00 |
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LIB
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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NEED
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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no_0e.irp.f
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add normal-ordering with CuTC
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2024-08-13 10:57:44 +02:00 |
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no_1e.irp.f
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added 1e-noL with CUDA
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2024-08-10 18:13:23 +02:00 |
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no_2e.irp.f
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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README.rst
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1st commit
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2024-06-26 11:15:30 +02:00 |
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uninstall
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Add rm -f in uninstall plugin
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2024-09-18 16:44:33 +02:00 |
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write_tc_int_cuda.irp.f
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add normal-ordering with CuTC
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2024-08-13 10:57:44 +02:00 |
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write_tc_int_gpu.irp.f
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issue with linking with CUDA
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2024-06-29 01:16:48 +02:00 |
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write_tc_int.irp.f
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v0
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2024-06-26 15:31:44 +02:00 |
