代码搜索：Geometry
找到约 4,837 项符合「Geometry」的源代码
代码结果 4,837
www.eeworm.com/read/240722/4570482
in uks_lsdax.in
% emacs should use -*- KeyVal -*- mode
% molecule specification
molecule: (
symmetry = C2V
unit = angstrom
{ atoms geometry } = {
C [ 0.000 0.000 -0.100]
H [ 0.000 0.8
www.eeworm.com/read/240722/4570485
in hsosks_b3lyp.in
% emacs should use -*- KeyVal -*- mode
% molecule specification
molecule: (
symmetry = C2V
unit = angstrom
{ atoms geometry } = {
C [ 0.000 0.000 -0.100]
H [ 0.000 0.8
www.eeworm.com/read/240722/4570487
in uks_b3lyp.in
% emacs should use -*- KeyVal -*- mode
% molecule specification
molecule: (
symmetry = C2V
unit = angstrom
{ atoms geometry } = {
C [ 0.000 0.000 -0.100]
H [ 0.000 0.8
www.eeworm.com/read/240722/4570657
in fixed.in
% emacs should use -*- KeyVal -*- mode
% molecule specification
molecule: (
symmetry = CS
{ atoms geometry } = {
H [ 3.04 -0.69 -1.59 ]
H [ 3.04 -0.69 1.59 ]
N [ 2.09 -0.
www.eeworm.com/read/240722/4570695
in molrender.in
% Emacs should use -*- keyval -*- mode.
molecule: (
symmetry=c2v
{atoms geometry} = {
H [ 1.5 0.0 -0.3 ]
O [ 0.0 0.0 1.0 ]
}
)
xmolecule: (