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/240722/4570602
in mbpt_mp2v2.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570605
in mbpt_opt22v2.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570609
in mbpt_opt12v1.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570615
in mbpt_opt22v1.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570617
in mbpt_opt12v2.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570619
in mbpt_zapt2v2.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570625
in mbpt_mp2v2_mp.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570626
in mbpt_opt12v2lb.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570627
in mbpt_mp2v1.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174
www.eeworm.com/read/240722/4570630
in mbpt_zapt2v2lb.in
% molecule specification
molecule: (
symmetry = D2H
angstroms = yes
{ atoms geometry } = {
C [ 0.0000 1.0094 0.0000 ]
C [ 0.0000 -1.0094 0.0000 ]
H [ 0.9174