From 2a00b08e1813acd94c2ae77103c4c854437bb3ca Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Mon, 2 Sep 2019 09:34:43 +0200 Subject: [PATCH] Rename E_vert to E_abs --- content/data/water_aug-cc-pVDZ_CC3.dat | 2 +- content/data/water_aug-cc-pVDZ_CCSDT.dat | 2 +- content/data/water_aug-cc-pVDZ_CCSDTQ.dat | 2 +- content/data/water_aug-cc-pVDZ_CCSDTQP.dat | 2 +- content/data/water_aug-cc-pVDZ_exFCI.dat | 2 +- content/data/water_aug-cc-pVTZ_CC3.dat | 2 +- content/data/water_aug-cc-pVTZ_CCSDT.dat | 2 +- content/data/water_aug-cc-pVTZ_CCSDTQ.dat | 2 +- content/data/water_aug-cc-pVTZ_exFCI.dat | 2 +- content/scripts/data.js | 4 ++-- 10 files changed, 11 insertions(+), 11 deletions(-) diff --git a/content/data/water_aug-cc-pVDZ_CC3.dat b/content/data/water_aug-cc-pVDZ_CC3.dat index 1a2978fd..b3328429 100644 --- a/content/data/water_aug-cc-pVDZ_CC3.dat +++ b/content/data/water_aug-cc-pVDZ_CC3.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.51 1 1 A_1 1 1 A_2 9.29 1 1 A_1 1 2 A_1 9.92 diff --git a/content/data/water_aug-cc-pVDZ_CCSDT.dat b/content/data/water_aug-cc-pVDZ_CCSDT.dat index 8400ae08..79b1584c 100644 --- a/content/data/water_aug-cc-pVDZ_CCSDT.dat +++ b/content/data/water_aug-cc-pVDZ_CCSDT.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.50 1 1 A_1 1 1 A_2 9.28 1 1 A_1 1 2 A_1 9.90 diff --git a/content/data/water_aug-cc-pVDZ_CCSDTQ.dat b/content/data/water_aug-cc-pVDZ_CCSDTQ.dat index 3874ad0b..f01bee3e 100644 --- a/content/data/water_aug-cc-pVDZ_CCSDTQ.dat +++ b/content/data/water_aug-cc-pVDZ_CCSDTQ.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.53 1 1 A_1 1 1 A_2 9.31 1 1 A_1 1 2 A_1 9.94 diff --git a/content/data/water_aug-cc-pVDZ_CCSDTQP.dat b/content/data/water_aug-cc-pVDZ_CCSDTQP.dat index 3d5d12fc..2479fef2 100644 --- a/content/data/water_aug-cc-pVDZ_CCSDTQP.dat +++ b/content/data/water_aug-cc-pVDZ_CCSDTQP.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.53 1 1 A_1 1 1 A_2 9.32 1 1 A_1 1 2 A_1 9.94 diff --git a/content/data/water_aug-cc-pVDZ_exFCI.dat b/content/data/water_aug-cc-pVDZ_exFCI.dat index 6ad66fa2..54735341 100644 --- a/content/data/water_aug-cc-pVDZ_exFCI.dat +++ b/content/data/water_aug-cc-pVDZ_exFCI.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.53 1 1 A_1 1 1 A_2 9.31 1 1 A_1 1 2 A_1 9.94 diff --git a/content/data/water_aug-cc-pVTZ_CC3.dat b/content/data/water_aug-cc-pVTZ_CC3.dat index 0fd7761e..09a69b9b 100644 --- a/content/data/water_aug-cc-pVTZ_CC3.dat +++ b/content/data/water_aug-cc-pVTZ_CC3.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.60 1 1 A_1 1 1 A_2 9.38 1 1 A_1 1 2 A_1 9.97 diff --git a/content/data/water_aug-cc-pVTZ_CCSDT.dat b/content/data/water_aug-cc-pVTZ_CCSDT.dat index 01a6a1ff..a4431414 100644 --- a/content/data/water_aug-cc-pVTZ_CCSDT.dat +++ b/content/data/water_aug-cc-pVTZ_CCSDT.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.59 1 1 A_1 1 1 A_2 9.37 1 1 A_1 1 2 A_1 9.95 diff --git a/content/data/water_aug-cc-pVTZ_CCSDTQ.dat b/content/data/water_aug-cc-pVTZ_CCSDTQ.dat index 263f9563..14b229e2 100644 --- a/content/data/water_aug-cc-pVTZ_CCSDTQ.dat +++ b/content/data/water_aug-cc-pVTZ_CCSDTQ.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.62 1 1 A_1 1 1 A_2 9.40 1 1 A_1 1 2 A_1 9.98 diff --git a/content/data/water_aug-cc-pVTZ_exFCI.dat b/content/data/water_aug-cc-pVTZ_exFCI.dat index b48b1868..9d3d8f13 100644 --- a/content/data/water_aug-cc-pVTZ_exFCI.dat +++ b/content/data/water_aug-cc-pVTZ_exFCI.dat @@ -6,7 +6,7 @@ # start end data ################### ####################### ####### -# Spin number Symm Spin number Symm E_vert +# Spin number Symm Spin number Symm E_abs 1 1 A_1 1 1 B_1 7.62 1 1 A_1 1 1 A_2 9.41 1 1 A_1 1 2 A_1 9.99 diff --git a/content/scripts/data.js b/content/scripts/data.js index 4a49701d..df595f05 100644 --- a/content/scripts/data.js +++ b/content/scripts/data.js @@ -27,10 +27,10 @@ class doi{ } } class excitation{ - constructor(start,end,Evert){ + constructor(start,end,Eabs){ this.start=start; this.end=end; - this.Evert=Evert; + this.Eabs=Eabs; } }