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|
type(gbsa_parameter),parameter :: gfn1_alpb_thf = gbsa_parameter ( &
7.60000000_wp, &
72.10610000_wp, &
0.88300000_wp, &
1.79184086_wp, &
1.32442970_wp, &
3.91207442_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.17258597_wp, -0.45736783_wp, -5.74541082_wp, -11.85251337_wp, -2.46247235_wp, &
-2.27847099_wp, -0.63753448_wp, 0.04721459_wp, -0.39229205_wp, -0.49245144_wp, &
-3.56497132_wp, -2.52428589_wp, -2.20333235_wp, 0.29997199_wp, -2.28696123_wp, &
-2.09386868_wp, -1.75774507_wp, -1.37172726_wp, -3.10403084_wp, -4.83760959_wp, &
53.37825246_wp, 0.00000000_wp, -3.85335733_wp, -3.75030832_wp, -4.61599760_wp, &
-4.36924179_wp, -2.44232391_wp, -3.23273103_wp, -2.52072747_wp, -3.04207198_wp, &
-2.87067106_wp, -2.37703525_wp, -2.26552998_wp, -2.02519033_wp, -2.18836500_wp, &
-1.39778518_wp, -2.75338769_wp, 9.00662268_wp, 15.03567562_wp, -1.32760194_wp, &
-3.45074417_wp, -3.01589359_wp, -4.62746877_wp, -2.96583745_wp, -1.48779717_wp, &
-2.54351498_wp, -2.10975451_wp, -1.53190911_wp, -3.27568335_wp, -2.06324121_wp, &
-1.90401777_wp, -2.15433966_wp, -2.49595309_wp, -1.37645869_wp, -2.83409103_wp, &
-4.36583911_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -3.58784634_wp, -3.44827070_wp, 0.01780079_wp, -4.25679706_wp, &
-1.73210351_wp, -1.94299080_wp, -1.26898503_wp, -1.52604309_wp, -1.68515392_wp, &
-2.02221140_wp, -1.32495450_wp, -1.15196295_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.93153648_wp, 0.71992244_wp, 0.94502953_wp, 0.99058490_wp, 0.83607905_wp, &
0.52001179_wp, 0.53600098_wp, 0.66982882_wp, 0.65990714_wp, 0.30000000_wp, &
0.30000000_wp, 0.71773666_wp, 0.98902747_wp, 0.46948059_wp, 0.66084812_wp, &
0.00722892_wp, 0.87198300_wp, 0.30000000_wp, 0.63961749_wp, 0.30000000_wp, &
0.81113833_wp, 0.00000000_wp, 1.17712667_wp, 1.05331388_wp, 1.29270168_wp, &
1.17470175_wp, 0.84429130_wp, 1.15053080_wp, 1.11349115_wp, 0.30000000_wp, &
0.96112231_wp, 0.75799643_wp, 1.15140152_wp, 0.90619588_wp, 0.88908343_wp, &
0.30000000_wp, 0.30000000_wp, 0.30000000_wp, 0.30000000_wp, 1.22958093_wp, &
1.11618043_wp, 0.95035360_wp, 1.17716192_wp, 1.12925983_wp, 0.98153387_wp, &
0.95832391_wp, 0.87170924_wp, 0.30000000_wp, 0.86333035_wp, 0.83970523_wp, &
1.07112949_wp, 0.63603863_wp, 1.60816613_wp, 1.29346093_wp, 1.08714135_wp, &
0.57197919_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.05173898_wp, 1.08749559_wp, 0.94909578_wp, 0.86431788_wp, &
1.05745192_wp, 0.97237769_wp, 0.64035583_wp, 1.08698238_wp, 0.86193227_wp, &
0.83154198_wp, 0.85874409_wp, 0.02863080_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 5.43063361_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 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_thf = gbsa_parameter ( &
7.60000000_wp, &
72.10610000_wp, &
0.88300000_wp, &
1.73108801_wp, &
1.22908546_wp, &
3.34137214_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.39382608_wp, -0.41673512_wp, -5.24166548_wp, -12.28002293_wp, -2.39879944_wp, &
-2.37361122_wp, -2.28412966_wp, -1.29340598_wp, -0.59946682_wp, -0.45617923_wp, &
-3.28531560_wp, -2.60390263_wp, -2.01369319_wp, 0.16334916_wp, -2.19322298_wp, &
-2.07853613_wp, -1.65297751_wp, -1.34212056_wp, -2.83157992_wp, -5.21371290_wp, &
-5.30650410_wp, -4.42395931_wp, -4.20357161_wp, -4.46225699_wp, -2.76811704_wp, &
3.22683787_wp, 4.92263961_wp, -2.07981512_wp, -2.08023751_wp, -3.35541496_wp, &
-2.66621144_wp, -2.00734620_wp, -2.22988638_wp, -1.67860150_wp, -1.66179813_wp, &
-1.36804717_wp, -2.90001002_wp, -5.88833988_wp, -7.16970264_wp, -0.21731622_wp, &
-3.60458626_wp, -3.77610601_wp, -1.40220558_wp, -3.05574179_wp, -1.34006342_wp, &
-2.23355539_wp, -2.28942451_wp, -2.90334663_wp, -2.87078852_wp, -1.79385735_wp, &
-1.86935973_wp, -2.13111698_wp, -2.21044812_wp, -1.28526914_wp, -3.06455933_wp, &
-5.03972111_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -1.58111347_wp, -2.63438997_wp, 1.92177355_wp, -1.48283989_wp, &
-1.33964787_wp, -2.00840956_wp, -1.11872636_wp, -1.29675924_wp, -2.74774148_wp, &
-2.00042498_wp, -1.04613567_wp, -1.29528026_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.87250470_wp, 1.10416477_wp, 0.31945941_wp, 0.65872837_wp, 0.79162434_wp, &
0.30000000_wp, 0.30000000_wp, 0.30000000_wp, 0.79792828_wp, 0.30000000_wp, &
0.30000000_wp, 1.02374372_wp, 0.70685905_wp, 0.86421406_wp, 0.58100025_wp, &
0.95186765_wp, 0.76927451_wp, 0.84904260_wp, 0.30000000_wp, 0.30000000_wp, &
1.01186506_wp, 1.07013676_wp, 1.31744070_wp, 1.35550797_wp, 1.25692141_wp, &
1.53278820_wp, 0.86935765_wp, 1.17794267_wp, 0.92855498_wp, 0.30000000_wp, &
1.11570278_wp, 0.72884747_wp, 1.11051328_wp, 1.05780570_wp, 0.61925510_wp, &
1.31374189_wp, 0.30000000_wp, 0.30000000_wp, 1.37177771_wp, 0.98992867_wp, &
1.35774541_wp, 0.77673697_wp, 1.32720260_wp, 1.52379000_wp, 1.26437762_wp, &
1.01132798_wp, 1.25960274_wp, 0.30000000_wp, 0.82622509_wp, 0.67512388_wp, &
1.10710921_wp, 0.30000000_wp, 0.57462767_wp, 1.18921728_wp, 0.66080140_wp, &
0.95565365_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.38799438_wp, 1.17053682_wp, 0.92249293_wp, 0.98656359_wp, &
1.40300471_wp, 1.35177042_wp, 1.02852347_wp, 1.07324743_wp, 0.30000000_wp, &
0.83275069_wp, 0.99004346_wp, 0.51381674_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 8.03952870_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 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_thf = gbsa_parameter ( &
7.60000000_wp, &
72.10610000_wp, &
0.88300000_wp, &
1.99165677_wp, &
1.25888923_wp, &
3.07058655_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.32453847_wp, -0.39663455_wp, -5.80378053_wp, -13.01295669_wp, -2.39839565_wp, &
-2.26945225_wp, -2.38513133_wp, -2.04766691_wp, -0.19749197_wp, -0.47182870_wp, &
-4.38213203_wp, -2.59953971_wp, -2.23565225_wp, -0.57798128_wp, -1.94818508_wp, &
-2.25357577_wp, -1.77254453_wp, -1.65553643_wp, -3.64169478_wp, -4.99475115_wp, &
-5.48085606_wp, -5.82356611_wp, -4.87219844_wp, -3.87119740_wp, -1.90044639_wp, &
-3.04811929_wp, 2.55435167_wp, -2.62076955_wp, -2.49153026_wp, -3.37121631_wp, &
-2.55884460_wp, -2.22314777_wp, -2.20085544_wp, -1.92838906_wp, -2.11361924_wp, &
-1.44409414_wp, -3.27525156_wp, -6.88115808_wp, -6.98039951_wp, -2.89952744_wp, &
-3.16608543_wp, 0.35898378_wp, 0.47105184_wp, -1.28354208_wp, -0.81247734_wp, &
-2.48446335_wp, -2.21656571_wp, -3.05873559_wp, -3.18572433_wp, -1.78168615_wp, &
-1.88734205_wp, -2.21026436_wp, -2.35274327_wp, -1.31562531_wp, -3.21788483_wp, &
-5.37153799_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -3.20066185_wp, -3.19439229_wp, 11.53482558_wp, 0.75028876_wp, &
-0.02608601_wp, -1.65018956_wp, -1.21546006_wp, -1.32024831_wp, -2.27954066_wp, &
-2.12350623_wp, -1.18709490_wp, -2.00950713_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.65530183_wp, 0.30000000_wp, 0.30000000_wp, 1.09280921_wp, 0.94888386_wp, &
0.59655237_wp, 0.26564326_wp, 0.09145601_wp, 0.64636936_wp, 0.30000000_wp, &
0.30000000_wp, 1.18156968_wp, 1.05319806_wp, 0.21630750_wp, 0.12957167_wp, &
0.80917776_wp, 1.04381409_wp, 0.30000000_wp, 0.30000000_wp, 1.76749831_wp, &
0.92727753_wp, 1.17115363_wp, 1.34077740_wp, 1.58318563_wp, 1.47021916_wp, &
1.66332166_wp, 1.73554083_wp, 1.37118939_wp, 0.30000000_wp, 0.30000000_wp, &
0.71341493_wp, 0.66637530_wp, 1.00207684_wp, 1.20421706_wp, 1.72541717_wp, &
0.89277197_wp, 0.30000000_wp, 0.30000000_wp, 0.77086843_wp, 1.12764800_wp, &
1.37427720_wp, 1.76363439_wp, 1.55974119_wp, 1.84702618_wp, 1.15001361_wp, &
0.89596437_wp, 0.30000000_wp, 0.30000000_wp, 0.85410076_wp, 0.40189677_wp, &
1.06445318_wp, 0.64895127_wp, 1.58226977_wp, 1.38853205_wp, 0.30000000_wp, &
0.30000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.52435244_wp, 1.31671532_wp, 1.68619164_wp, 1.23188782_wp, &
1.51506566_wp, 1.25628205_wp, 0.39697709_wp, 0.28774514_wp, 0.90037372_wp, &
0.80000000_wp, 1.14616045_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 7.36846215_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
|
