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/240722/4570551
in ckpt_clksxalpha.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570552
in ckpt_0clksb3lyp.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570556
in ckpt_0clscf.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/240722/4570560
in ckpt_mp2.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/240722/4570568
in ckpt_clksbp86.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570569
in ckpt_0clkssvwn1.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570571
in ckpt_clkspw91.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570573
in ckpt_clkssvwn3.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0
www.eeworm.com/read/240722/4570575
in ckpt_0qnewtopt.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/240722/4570577
in ckpt_clkssvwn2.in
% -*- KeyVal -*-
% molecule specification
molecule: (
symmetry = C2V
angstroms = yes
{ atoms geometry } = {
O [ 0.00000000 0.00000000 0.36937294 ]
H [ 0