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|
type(gbsa_parameter),parameter :: gfn1_alpb_dioxane = gbsa_parameter ( &
2.20990000_wp, &
88.11000000_wp, &
1.03000000_wp, &
1.09345708_wp, &
0.50020089_wp, &
1.65053783_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.25692525_wp, -0.07988404_wp, -6.84231893_wp, -13.99854463_wp, -2.91393027_wp, &
-2.46054907_wp, 0.85860913_wp, 2.83509847_wp, 1.18479198_wp, -0.10576048_wp, &
-3.46118133_wp, -2.86558094_wp, -2.59574959_wp, 1.00019486_wp, -2.49948124_wp, &
-2.36350124_wp, -1.99650894_wp, -0.88393692_wp, -3.37935418_wp, -5.14009725_wp, &
-3.82643718_wp, -1.84498043_wp, -0.71552574_wp, 2.41960445_wp, -2.04284485_wp, &
-6.48261067_wp, -10.07963841_wp, -3.64065034_wp, -2.51266782_wp, -2.86149613_wp, &
0.16395669_wp, -2.55443197_wp, -2.65238979_wp, -2.08910747_wp, -2.44250371_wp, &
-1.00736956_wp, -2.53809723_wp, -5.98063844_wp, -7.79249444_wp, 8.69014683_wp, &
8.29356787_wp, 0.00000000_wp, 1.39423350_wp, -0.68627094_wp, -3.14912649_wp, &
-2.82521531_wp, -2.20336415_wp, -1.08498698_wp, -3.69343000_wp, -1.65864648_wp, &
-1.99049613_wp, -2.27901261_wp, -2.92707560_wp, -0.69897712_wp, -2.73016449_wp, &
-4.67732158_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 4.36756063_wp, 7.51082774_wp, 14.59832232_wp, 11.85856020_wp, &
-1.48402765_wp, -3.12253863_wp, -0.80530444_wp, -1.32710332_wp, -0.71657742_wp, &
-1.48527680_wp, -0.70402418_wp, -0.11875435_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 1.00574070_wp, 1.55306025_wp, 1.04621550_wp, 0.64379699_wp, 0.85469064_wp, &
0.64996343_wp, 0.30000000_wp, 0.30000000_wp, 0.89070229_wp, 0.86796436_wp, &
0.30000000_wp, 0.29228712_wp, 1.01456146_wp, 0.90780637_wp, 0.56835652_wp, &
0.30000000_wp, 0.96616640_wp, 1.25483263_wp, 0.89428591_wp, 0.30000000_wp, &
1.05628751_wp, 1.08591184_wp, 1.15734098_wp, 1.16377059_wp, 1.39361442_wp, &
1.23694826_wp, 0.95877392_wp, 1.11313626_wp, 1.22157014_wp, 0.30000000_wp, &
0.32316559_wp, 1.01360105_wp, 0.47398202_wp, 1.00661266_wp, 0.93454056_wp, &
1.60025003_wp, 0.44665119_wp, 0.30000000_wp, 1.24646806_wp, 0.90215136_wp, &
1.17500460_wp, 1.00000000_wp, 1.37304827_wp, 1.22183846_wp, 1.08348633_wp, &
1.15382853_wp, 1.10114136_wp, 1.03891431_wp, 0.94348615_wp, 0.82550379_wp, &
0.94655564_wp, 0.94847411_wp, 0.83414398_wp, 1.35352141_wp, 1.11637767_wp, &
0.58639105_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 0.82654991_wp, 1.03383494_wp, 0.89512593_wp, 0.88673930_wp, &
1.16360462_wp, 1.08590154_wp, 0.76430980_wp, 1.15404730_wp, 1.04217856_wp, &
0.84859081_wp, 1.02880140_wp, 0.97748687_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp /), &
(/ 1.71618195_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
type(gbsa_parameter),parameter :: gfn2_alpb_dioxane = gbsa_parameter ( &
2.20990000_wp, &
88.11000000_wp, &
1.03000000_wp, &
1.08594401_wp, &
1.00107567_wp, &
1.73889651_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.30290774_wp, -0.11747889_wp, -5.21763288_wp, -12.06254155_wp, -2.26649580_wp, &
-2.32061003_wp, -2.10913167_wp, 0.41984122_wp, 0.11160374_wp, -0.16720505_wp, &
-3.15925017_wp, -2.35890206_wp, -1.78234075_wp, 1.00019486_wp, -1.50992486_wp, &
-1.55783018_wp, -1.41889343_wp, -0.90873964_wp, -2.45741294_wp, -5.14009725_wp, &
-3.82643718_wp, -1.84498043_wp, -5.65375333_wp, -1.93935987_wp, -1.34357575_wp, &
1.26875485_wp, -10.07963841_wp, -1.37816150_wp, -1.64650261_wp, -3.08213950_wp, &
-2.70966327_wp, -1.47471128_wp, -1.95292540_wp, -1.11231973_wp, -1.78670355_wp, &
-0.91293395_wp, -2.65076547_wp, -5.98063844_wp, -7.79249444_wp, 3.08009398_wp, &
-4.64823076_wp, -0.37879616_wp, 0.04905680_wp, -3.37456181_wp, -2.38573910_wp, &
-1.97354440_wp, -2.08001446_wp, -1.63445987_wp, -2.78036246_wp, -1.37470577_wp, &
-1.44947390_wp, -1.90241170_wp, -2.14102405_wp, -0.95822732_wp, -3.09207921_wp, &
-5.17995903_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.40509807_wp, -2.74316309_wp, 5.47707232_wp, -3.93096056_wp, &
-0.96010077_wp, -1.99348798_wp, -0.65434419_wp, -0.92143731_wp, -2.71423264_wp, &
-1.27668848_wp, -0.82650501_wp, -0.31800653_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.99501947_wp, 0.54939611_wp, 0.84749233_wp, 0.08192417_wp, 0.92829185_wp, &
0.30000000_wp, 0.30000000_wp, 0.30000000_wp, 1.02157731_wp, 0.30000000_wp, &
0.50727977_wp, 0.66635680_wp, 1.06317195_wp, 0.90780637_wp, 0.30000000_wp, &
0.86175540_wp, 0.93435708_wp, 1.39628743_wp, 0.75104383_wp, 0.30000000_wp, &
1.05628751_wp, 1.08591184_wp, 1.13615426_wp, 0.94969656_wp, 1.19054921_wp, &
1.38854191_wp, 0.95877392_wp, 1.16632036_wp, 1.04862692_wp, 0.30000000_wp, &
0.98417023_wp, 0.78173613_wp, 0.59487457_wp, 0.80927909_wp, 0.84402819_wp, &
1.43968875_wp, 0.30000000_wp, 0.30000000_wp, 1.24646806_wp, 0.91395622_wp, &
1.10166853_wp, 0.53876725_wp, 0.63549151_wp, 1.50683885_wp, 1.22017940_wp, &
1.10791748_wp, 1.13222922_wp, 0.61488695_wp, 0.83615148_wp, 0.48577020_wp, &
0.53599960_wp, 0.61714433_wp, 0.62668099_wp, 1.15581020_wp, 0.99978295_wp, &
0.89248506_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 0.30000000_wp, 1.09239868_wp, 0.85801984_wp, 1.22312847_wp, &
0.85940608_wp, 0.93453487_wp, 0.58858953_wp, 1.12905516_wp, 0.81905399_wp, &
0.62548456_wp, 1.03207940_wp, 0.86738337_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp /), &
(/ 5.79628587_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
type(gbsa_parameter),parameter :: gfnff_alpb_dioxane = gbsa_parameter ( &
2.20990000_wp, &
88.11000000_wp, &
1.03000000_wp, &
1.12169132_wp, &
1.30529673_wp, &
2.37741526_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.09832301_wp, -0.17573885_wp, -5.43385372_wp, -12.34481143_wp, -2.13608325_wp, &
-2.12322960_wp, -1.43470338_wp, 0.31315212_wp, 0.13974997_wp, -0.26141448_wp, &
-4.16303049_wp, -2.40563630_wp, -2.03849681_wp, -0.52376286_wp, -1.40034416_wp, &
-1.79374651_wp, -1.45500134_wp, -1.33003000_wp, -3.48810198_wp, -5.25459105_wp, &
-5.57799712_wp, -6.85453726_wp, -6.14449358_wp, -6.08112482_wp, 1.12286665_wp, &
-3.77230101_wp, 0.00000000_wp, -2.58132278_wp, -2.17970624_wp, -3.10269233_wp, &
-2.63899778_wp, -1.75072800_wp, -1.83879609_wp, -1.51537526_wp, -1.90065220_wp, &
-1.12277794_wp, -3.21389317_wp, -6.88015873_wp, -1.41738038_wp, -2.83935169_wp, &
-4.07199379_wp, -1.83392992_wp, -1.03674513_wp, -0.33622177_wp, -1.42892693_wp, &
-1.88770900_wp, -1.89963862_wp, -2.84015813_wp, -2.92298435_wp, -1.29072318_wp, &
-1.56788497_wp, -1.94127588_wp, -2.06423483_wp, -1.15495429_wp, -3.15689906_wp, &
-5.28875372_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -4.19654967_wp, -3.92886985_wp, 7.84784326_wp, -1.53772818_wp, &
-0.89406013_wp, -1.85431925_wp, -0.93125962_wp, -1.15362893_wp, -2.34162239_wp, &
-1.53217451_wp, -1.26074923_wp, -1.81255051_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 1.01042959_wp, 0.99143509_wp, 0.91004705_wp, 1.32314755_wp, 0.89688010_wp, &
0.28854537_wp, 0.30000000_wp, 0.30000000_wp, 0.98423211_wp, 0.30000000_wp, &
0.30000000_wp, 1.20391343_wp, 1.06449921_wp, 0.89905207_wp, 0.30000000_wp, &
0.67040787_wp, 1.41451645_wp, 1.03972945_wp, 0.30000000_wp, 1.55510388_wp, &
1.03827959_wp, 1.12544963_wp, 1.32248999_wp, 1.63521161_wp, 1.90053582_wp, &
1.94257575_wp, 1.00000000_wp, 1.48860163_wp, 1.26303630_wp, 0.30000000_wp, &
0.93356896_wp, 0.71958749_wp, 0.67265189_wp, 0.83250136_wp, 1.74345999_wp, &
1.33628214_wp, 0.30000000_wp, 0.30000000_wp, 1.06301677_wp, 1.13387587_wp, &
1.49649675_wp, 1.75228841_wp, 1.72476168_wp, 0.30000000_wp, 1.24487741_wp, &
0.30000000_wp, 1.38526583_wp, 0.30000000_wp, 0.72869925_wp, 0.03883692_wp, &
0.30000000_wp, 0.96981244_wp, 1.01619215_wp, 1.24659007_wp, 0.30000000_wp, &
0.30000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 0.80000000_wp, 1.40890544_wp, 1.65425268_wp, 1.36808355_wp, &
1.69371743_wp, 1.44978347_wp, 0.80000000_wp, 1.23936937_wp, 0.80000000_wp, &
0.80000000_wp, 0.02836955_wp, 0.80000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp, &
1.00000000_wp, 1.00000000_wp, 1.00000000_wp, 1.00000000_wp /), &
(/ 6.27081582_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
|
