| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/dft/test/ |
| H A D | test_dks.py | 30 mf = dks.DKS(mol)
43 mf = dks.DKS(mol).x2c()
56 mf = dks.DKS(mol)
61 mf = dks.DKS(mol)
|
| H A D | test_he.py | 52 m = mol.DKS()
55 m = mol.DKS().x2c()
|
| /dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc48/gcc-4.8.5/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/devel/mingw32-gcc/gcc-4.8.1/gcc/testsuite/gfortran.dg/ |
| H A D | ldist-1.f90 | 6 DIMENSION DKS(*),DKDS(*),HVAR(*)
15 BS=SS*DKS(J)*HVAR(J)*HVAR(J)
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/dft/ |
| H A D | dks.py | 129 class DKS(rks.KohnShamDFT, dhf.DHF): class
154 UKS = UDKS = DKS
156 class RDKS(DKS, dhf.RDHF):
|
| /dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
| H A D | 5dks_5c6.sdf | 3 Coordinates from PDB:5DKS:A:601 Model:1 without hydrogens
157 5DKS
|