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/240722/4570520
in ckpt_0clksspz81.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570521
in ckpt_clkssvwn4.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570523
in ckpt_clkssvwn1rpa.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570525
in ckpt_0clkssvwn3.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570528
in ckpt_0clkssvwn2.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570529
in ckpt_clksmpwpw91.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570538
in ckpt_clkssvwn1.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570542
in ckpt_0clkssvwn1rpa.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570549
in ckpt_qnewtopt.in
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0.78397590 0.0
www.eeworm.com/read/240722/4570550
in ckpt_0clkssvwn4.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0