https://github.com/otnorli/CCSD_PARALLEL
Tip revision: fef91236b9d3147b03fc20295ae8c54e4d65e2a1 authored by otnorli on 09 October 2014, 15:43:57 UTC
Update README.md
Update README.md
Tip revision: fef9123
| File | Mode | Size |
|---|---|---|
| Hartree_Fock_Rewritten | ||
| build-Hartree_Fock_Rewritten-Desktop-Debug | ||
| build-testprogram-Desktop-Debug | ||
| testprogram | ||
| INCAR~ | -rw-r--r-- | 165 bytes |
| Makefile | -rw-r--r-- | 8.6 KB |
| README.md | -rw-r--r-- | 2.7 KB |
| cc_general.cpp | -rw-r--r-- | 174.7 KB |
| ccsd_even.cpp | -rw-r--r-- | 49.0 KB |
| ccsd_even.h | -rw-r--r-- | 1.5 KB |
| ccsd_memory_optimized.cpp | -rw-r--r-- | 210.0 KB |
| ccsd_memory_optimized.h | -rw-r--r-- | 3.7 KB |
| ccsd_memory_optimized.o | -rw-r--r-- | 329.8 KB |
| ccsd_non_iterative_part.cpp | -rw-r--r-- | 47.6 KB |
| ccsd_non_iterative_part.h | -rw-r--r-- | 1.2 KB |
| ccsdt.cpp | -rw-r--r-- | 95.2 KB |
| ccsdt.h | -rw-r--r-- | 1.6 KB |
| coupled_cluster.cpp | -rw-r--r-- | 48.7 KB |
| coupled_cluster.h | -rw-r--r-- | 1.8 KB |
| fill_alpha.cpp | -rw-r--r-- | 1.5 MB |
| fill_alpha.h | -rw-r--r-- | 676 bytes |
| fill_alpha.o | -rw-r--r-- | 2.3 MB |
| fill_alpha2.cpp | -rw-r--r-- | 315.3 KB |
| fill_alpha2.h | -rw-r--r-- | 681 bytes |
| hartree_fock_solver.cpp | -rw-r--r-- | 47.9 KB |
| hartree_fock_solver.h | -rw-r--r-- | 2.9 KB |
| hartree_fock_solver.o | -rw-r--r-- | 307.6 KB |
| hartree_integrals.cpp | -rw-r--r-- | 21.9 KB |
| hartree_integrals.h | -rw-r--r-- | 2.0 KB |
| hartree_integrals.o | -rw-r--r-- | 93.4 KB |
| hartreefock_molecules | -rwxr-xr-x | 1.5 MB |
| hartreefock_molecules.pro | -rw-r--r-- | 956 bytes |
| hartreefock_molecules.pro.user | -rw-r--r-- | 20.7 KB |
| hartreefock_molecules.pro.user.fb28211 | -rw-r--r-- | 26.7 KB |
| initializer.cpp | -rw-r--r-- | 5.0 KB |
| initializer.h | -rw-r--r-- | 802 bytes |
| initializer.o | -rw-r--r-- | 187.5 KB |
| main.cpp | -rw-r--r-- | 24.0 KB |
| main.o | -rw-r--r-- | 163.7 KB |
| matrix_size_setter.cpp | -rw-r--r-- | 12.6 KB |
| matrix_size_setter.h | -rw-r--r-- | 472 bytes |
| matrix_size_setter.o | -rw-r--r-- | 18.9 KB |
| relax_the_structure.h | -rw-r--r-- | 741 bytes |
