OSDN > Developer > ktns > Chamber > MolDS > Commit

MolDS
Fork

(Original repository, No fork origin)

R/O
HTTP
SSH
HTTPS

Commit

Commit MetaInfo

Revisão	73f1cabe2cef7bed0362a4eb54943648af7ee67d (tree)
Hora	2013-07-10 18:35:16
Autor	Mikiya Fujii <mikiya.fujii@gmai...>
Commiter	Mikiya Fujii

Mensagem de Log

Merge trunk into branch mpi-cis. #31588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/mpi-cis@1373 1136aad2-a195-0410-b898-f5ea1d11b9d8

Mudança Sumário

modified: src/am1/Am1.cpp (diff)
modified: src/am1/Am1.h (diff)
modified: src/am1/Am1D.cpp (diff)
modified: src/am1/Am1D.h (diff)
modified: src/cndo/Cndo2.cpp (diff)
modified: src/cndo/Cndo2.h (diff)
modified: src/indo/Indo.h (diff)
modified: src/mndo/Mndo.cpp (diff)
modified: src/mndo/Mndo.h (diff)
modified: src/pm3/Pm3.cpp (diff)
modified: src/pm3/Pm3.h (diff)
modified: src/pm3/Pm3D.cpp (diff)
modified: src/pm3/Pm3D.h (diff)
modified: src/pm3/Pm3Pddg.cpp (diff)
modified: src/pm3/Pm3Pddg.h (diff)
modified: src/zindo/ZindoS.cpp (diff)
modified: src/zindo/ZindoS.h (diff)

Diff

--- a/src/am1/Am1.cpp

+++ b/src/am1/Am1.cpp

		@@ -51,7 +51,7 @@ using namespace MolDS_base_atoms;
51	51	namespace MolDS_am1{
52	52
53	53	/***
54		- * Main Refferences for AM1 are [DZHS_1985, DY_1990]
	54	+ * Main References for AM1 are [DZHS_1985, DY_1990]
55	55	*/
56	56	Am1::Am1() : MolDS_mndo::Mndo(){
57	57	this->theory = AM1;

--- a/src/am1/Am1.h

+++ b/src/am1/Am1.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_am1{
22	22
23	23	/***
24		- * Main Refferences for AM1 are [DZHS_1985, DY_1990]
	24	+ * Main References for AM1 are [DZHS_1985, DY_1990]
25	25	*/
26	26	class Am1 : public MolDS_mndo::Mndo{
27	27	public:

--- a/src/am1/Am1D.cpp

+++ b/src/am1/Am1D.cpp

		@@ -53,7 +53,7 @@ using namespace MolDS_base_atoms;
53	53	namespace MolDS_am1{
54	54
55	55	/***
56		- * Main Refferences for AM1-D are [MH_2007, MMHBV_2007]
	56	+ * Main References for AM1-D are [MH_2007, MMHBV_2007]
57	57	*/
58	58	Am1D::Am1D() : MolDS_am1::Am1(){
59	59	this->theory = AM1D;

--- a/src/am1/Am1D.h

+++ b/src/am1/Am1D.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_am1{
22	22
23	23	/***
24		- * Main Refferences for AM1-D are [MH_2007, MMHBV_2007]
	24	+ * Main References for AM1-D are [MH_2007, MMHBV_2007]
25	25	*/
26	26	class Am1D : public MolDS_am1::Am1{
27	27	public:

--- a/src/cndo/Cndo2.cpp

+++ b/src/cndo/Cndo2.cpp

		@@ -61,7 +61,7 @@ using namespace MolDS_base_atoms;
61	61	namespace MolDS_cndo{
62	62
63	63	/***
64		- * Refferences for Cndo2 are [PB_1970], [PSS_1965], and [PS_1965].
	64	+ * References for Cndo2 are [PB_1970], [PSS_1965], and [PS_1965].
65	65	*/
66	66	Cndo2::Cndo2(){
67	67	//protected variables

--- a/src/cndo/Cndo2.h

+++ b/src/cndo/Cndo2.h

		@@ -22,7 +22,7 @@
22	22	namespace MolDS_cndo{
23	23
24	24	/***
25		- * Refferences for Cndo2 are [PB_1970], [PSS_1965], and [PS_1965].
	25	+ * References for Cndo2 are [PB_1970], [PSS_1965], and [PS_1965].
26	26	*/
27	27	class Cndo2 : public MolDS_base::ElectronicStructure{
28	28	public:

--- a/src/indo/Indo.h

+++ b/src/indo/Indo.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_indo{
22	22
23	23	/***
24		- * Refferences for Indo are [PB_1970] and [PS_1966].
	24	+ * References for Indo are [PB_1970] and [PS_1966].
25	25	*/
26	26	class Indo : public MolDS_cndo::Cndo2{
27	27	public:

--- a/src/mndo/Mndo.cpp

+++ b/src/mndo/Mndo.cpp

		@@ -55,7 +55,7 @@ using namespace MolDS_base_atoms;
55	55	namespace MolDS_mndo{
56	56
57	57	/***
58		- * Main Refferences for MNDO are [DT_1977, DT_1977-2, DT_1977-3]
	58	+ * Main References for MNDO are [DT_1977, DT_1977-2, DT_1977-3]
59	59	*/
60	60	Mndo::Mndo() : MolDS_zindo::ZindoS(){
61	61	// protedted variables and methods

--- a/src/mndo/Mndo.h

+++ b/src/mndo/Mndo.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_mndo{
22	22
23	23	/***
24		- * Main Refferences for MNDO are [DT_1977, DT_1977-2, DT_1977-3]
	24	+ * Main References for MNDO are [DT_1977, DT_1977-2, DT_1977-3]
25	25	*/
26	26	class Mndo : public MolDS_zindo::ZindoS{
27	27	public:

--- a/src/pm3/Pm3.cpp

+++ b/src/pm3/Pm3.cpp

		@@ -53,7 +53,7 @@ using namespace MolDS_base_atoms;
53	53	namespace MolDS_pm3{
54	54
55	55	/***
56		- * Main Refferences for PM3 are [S_1989, S_1989-2, S_1991, S_2004, S_2007]
	56	+ * Main References for PM3 are [S_1989, S_1989-2, S_1991, S_2004, S_2007]
57	57	*/
58	58	Pm3::Pm3() : MolDS_am1::Am1(){
59	59	this->theory = PM3;

--- a/src/pm3/Pm3.h

+++ b/src/pm3/Pm3.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_pm3{
22	22
23	23	/***
24		- * Main Refferences for PM3 are [S_1989, S_1989-2, S_1991, S_2004, S_2007]
	24	+ * Main References for PM3 are [S_1989, S_1989-2, S_1991, S_2004, S_2007]
25	25	*/
26	26	class Pm3 : public MolDS_am1::Am1{
27	27	public:

--- a/src/pm3/Pm3D.cpp

+++ b/src/pm3/Pm3D.cpp

		@@ -54,7 +54,7 @@ using namespace MolDS_base_atoms;
54	54	namespace MolDS_pm3{
55	55
56	56	/***
57		- * Main Refferences for PM3-D are [MH_2007, MMHBV_2007]
	57	+ * Main References for PM3-D are [MH_2007, MMHBV_2007]
58	58	*/
59	59	Pm3D::Pm3D() : MolDS_pm3::Pm3(){
60	60	this->theory = PM3D;

--- a/src/pm3/Pm3D.h

+++ b/src/pm3/Pm3D.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_pm3{
22	22
23	23	/***
24		- * Main Refferences for PM3-D are [MH_2007, MMHBV_2007]
	24	+ * Main References for PM3-D are [MH_2007, MMHBV_2007]
25	25	*/
26	26	class Pm3D : public MolDS_pm3::Pm3{
27	27	public:

--- a/src/pm3/Pm3Pddg.cpp

+++ b/src/pm3/Pm3Pddg.cpp

		@@ -54,7 +54,7 @@ using namespace MolDS_base_atoms;
54	54	namespace MolDS_pm3{
55	55
56	56	/***
57		- * Main Refferences for PM3/PDDG are [RCJ_2002, BGRJ_2003, and BGJ_2003]
	57	+ * Main References for PM3/PDDG are [RCJ_2002, BGRJ_2003, and BGJ_2003]
58	58	*/
59	59	Pm3Pddg::Pm3Pddg() : MolDS_pm3::Pm3(){
60	60	this->theory = PM3PDDG;

--- a/src/pm3/Pm3Pddg.h

+++ b/src/pm3/Pm3Pddg.h

		@@ -21,7 +21,7 @@
21	21	namespace MolDS_pm3{
22	22
23	23	/***
24		- * Main Refferences for PM3/PDDG are [RCJ_2002, BGRJ_2003, and BGJ_2003]
	24	+ * Main References for PM3/PDDG are [RCJ_2002, BGRJ_2003, and BGJ_2003]
25	25	*/
26	26	class Pm3Pddg : public MolDS_pm3::Pm3{
27	27	public:

--- a/src/zindo/ZindoS.cpp

+++ b/src/zindo/ZindoS.cpp

		@@ -60,7 +60,7 @@ using namespace MolDS_base_atoms;
60	60	namespace MolDS_zindo{
61	61
62	62	/***
63		- * Main Refference for Zindo is [RZ_1973]
	63	+ * Main Reference for Zindo is [RZ_1973]
64	64	*/
65	65
66	66	ZindoS::ZindoS() : MolDS_cndo::Cndo2(){

--- a/src/zindo/ZindoS.h

+++ b/src/zindo/ZindoS.h

		@@ -22,7 +22,7 @@
22	22	namespace MolDS_zindo{
23	23
24	24	/***
25		- * Main Refference for Zindo is [RZ_1973]
	25	+ * Main Reference for Zindo is [RZ_1973]
26	26	*/
27	27	class ZindoS : public MolDS_cndo::Cndo2{
28	28	public:

MolDS Fork